SCHEMBL5868422

SCHEMBL5868422

OCCC(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
SRR Q9GZT4 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8425091 1.00 TRPA1 (0.47) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL5105980 0.88 TRPA1 (0.52) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4964246 0.87 TRPA1 (0.44) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL875439 0.87 TRPA1 (0.44) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL4964239 0.87 TRPA1 (0.44) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL1598160 0.85 CSNK1E (0.44) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL5097040 0.84 TRPA1 (0.48) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL11297877 0.84 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL27622402 0.84 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL27890776 0.84 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540650-A Photoresists suitable for forming relief structures of highly heat-resistant polymers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-09-10 US claimed
EP-0036155-A2 Polymerisable phospholipids, process for their preparation, polymeric phospholipids, process for their preparation as well as the use of the polymeric phospholipids Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1981-09-23 EP claimed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed
EP-3194501-A1 3D PRINTING METHOD UTILIZING A PHOTOCURABLE SILICONE COMPOSITION Dow Corning Corporation (US) 2017-07-26 EP disclosed
WO-2016044547-A1 3D PRINTING METHOD UTILIZING A PHOTOCURABLE SILICONE COMPOSITION DOW CORNING CORPORATION (US) 2016-03-24 WO disclosed
CN-1980657-A Novel antiviral helioxanthin analogs UNIV YALE (US) 2007-06-13 CN disclosed
US-6998381-B2 Concentrated, stable, preferably clear, fabric softening composition containing amine fabric softener THE PROCTER & GAMBLE COMPANY (US) 2006-02-14 US disclosed
US-20040002436-A1 Concentrated, stable, preferably clear, fabric softening composition containing amine fabric softener THE PROCTER & GAMBLE COMPANY 2004-01-01 US disclosed
US-6335458-B1 COMPOUNDS CORRESPONDING TO A RING PART OF VITAMIN D DERIVATIVES HAVING 3-HYDROXYPROPYLOXY GROUP AT 2 BETA-POSITION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-01 US disclosed
EP-0219131-A2 Surface-finish coating method DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-04-22 EP disclosed
EP-0103225-B1 PHOTORESIST FOR CREATING RELIEF STRUCTURES ON HIGH-TEMPERATURE RESISTANT POLYMERS MERCK PATENT GmbH (DE) 1987-02-04 EP disclosed
US-4540650-A Photoresists suitable for forming relief structures of highly heat-resistant polymers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-09-10 US disclosed
EP-0103225-A2 Photoresist for creating relief structures on high-temperature resistant polymers MERCK PATENT GmbH (DE) 1984-03-21 EP disclosed
EP-0099525-A2 Photoresist MERCK PATENT GmbH (DE) 1984-02-01 EP disclosed
EP-0002062-B1 CYCLIC ORGANOPHOSPHORUS COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1982-05-05 EP disclosed
EP-0036155-A2 Polymerisable phospholipids, process for their preparation, polymeric phospholipids, process for their preparation as well as the use of the polymeric phospholipids Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1981-09-23 EP disclosed
EP-0002062-A1 Cyclic organophosphorus compounds, method for their preparation and their use Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1979-05-30 EP disclosed
US-4129413-A Oxidation hair dyes based upon tetraaminopyrimidine developers and mono- and dialkyl -m- dihydroxy benzene couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1978-12-12 US disclosed