SCHEMBL4764671

SCHEMBL4764671

CC1CCC2CCCC2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2252062 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL5779865 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL9441857 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL17800105 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL8024177 0.92 ALDH1A1 (0.44) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL6671467 0.91 ALDH1A1 (0.41) ALDH1A1CYP2C9TSHRCYP2C19TDP1
SCHEMBL27114563 0.88 ALDH1A1 (0.47) ALDH1A1CYP2C9TSHRCYP2C19TDP1
SCHEMBL18962202 0.88 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP2C9TSHRCYP2C19
SCHEMBL11401966 0.87 L3MBTL1 (0.39) L3MBTL1TRPA1TRPM8
SCHEMBL14230816 0.87 L3MBTL1 (0.39) L3MBTL1TRPA1TRPM8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139578-A1 DUAL-CURE EPOXY RESINS FOR 3D PRINTING OF HIGH-PERFORMANCE MATERIALS NOGA 3D INNOVATIONS LTD (IL) 2023-07-27 WO disclosed
EP-3475391-A1 PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT AROMATICS (BTX) AND BIOFUELS FROM BIOMASS Biobtx B.V. (NL) 2019-05-01 EP disclosed
WO-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed
WO-2017222380-A1 PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT AROMATICS (BTX) AND BIOFUELS FROM BIOMASS BIOBTX B.V. (NL) 2017-12-28 WO disclosed
JP-2008263151-A LIQUID FOR LIQUID IMMERSION EXPOSURE, AND MANUFACTURING METHOD THEREOF JSR CORP 2008-10-30 JP disclosed
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed