SCHEMBL11230728

SCHEMBL11230728

Nc1ccc2c(c1)C=C(c1ccccc1)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 3/20 0.41
NISCH Q9Y2I1 1/20 0.36
MAOA P21397 1/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
BRAF P15056 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RARA P10276 2/20 0.34
RARG P13631 2/20 0.34
ALOX12 P18054 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL571115 0.81 MAPT (0.45) LMNANPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL28672526 0.81 ALOX5 (0.46) LMNAALOX5NISCHMAPTALDH1A1
SCHEMBL230113 0.79 NISCH (0.53) LMNANPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL29518399 0.79 NISCH (0.53) LMNANPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL11240988 0.77 CYP11B1 (0.41) ALOX5NISCHMAPTKDM4EALDH1A1
SCHEMBL616344 0.72 RARA (0.46) RAB9AALOX5NISCHMAPTALDH1A1
SCHEMBL28663649 0.70 MEN1 (0.50) LMNANPC1RAB9ASMN1; SMN2MAOA
SCHEMBL28668688 0.70 ALOX5 (0.45) LMNAALOX5MAPTTDP1CYP3A4
SCHEMBL2070069 0.67 MAPT (0.50) LMNANPC1RAB9ASMN1; SMN2ALOX5
Biphenyl SCHEMBL27625903 0.67 ADORA1 (0.55) LMNANPC1RAB9ASMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341792-A ANTIDIABETIC AND CARDIOTONIC AGENTS PFIZER INC. (US) 1982-07-27 US disclosed