SCHEMBL669629

SCHEMBL669629

CCCCc1cc(CCCC)cc(CCCOC(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
GPR84 Q9NQS5 2/20 0.47
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 3/20 0.40
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL286638 0.78 LMNA (0.54) LMNANPC1RAB9ATNKS2TSHR
SCHEMBL42522 0.78
Benzene SCHEMBL27766013 0.77 LMNA (0.55) LMNAHPGDNPC1MAPK1RAB9A
SCHEMBL9562066 0.76 ALDH1A1 (0.58) LMNAHPGDNPC1MAPK1RAB9A
Urea SCHEMBL27867524 0.76 ALDH1A1 (0.58) LMNAHPGDNPC1MAPK1RAB9A
SCHEMBL28184 0.76
Phosphine SCHEMBL28287744 0.76
Ethane SCHEMBL28008042 0.76 ALDH1A1 (0.58) LMNAHPGDNPC1MAPK1RAB9A
Hydrochloric Acid SCHEMBL10429397 0.76
Ammonia Solution, Strong SCHEMBL27843243 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
WO-2021214126-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-10-28 WO disclosed
EP-3191500-A2 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS Academia Sinica (TW) 2017-07-19 EP disclosed
EP-3052134-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2016040369-A2 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS ACADEMIA SINICA (TW) 2016-03-17 WO disclosed
EP-2956138-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2015-12-23 EP disclosed
EP-2892510-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2015-07-15 EP disclosed
EP-2892511-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2015-07-15 EP disclosed
EP-2892509-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2015-07-15 EP disclosed
EP-2892512-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2015-07-15 EP disclosed
WO-2009100014-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-13 WO disclosed
EP-1912679-A4 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2009-07-29 EP disclosed
WO-2009046314-A2 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-09 WO disclosed
EP-2018545-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-01-28 EP disclosed
WO-2008137692-A1 TREATMENT OF SYNUCLEINOPATHIES LINK MEDICINE CORPORATION (US) 2008-11-13 WO disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 WO disclosed
WO-2008048714-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO disclosed
EP-1912679-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-23 EP disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
WO-2006138380-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-28 WO disclosed