SCHEMBL10809218

SCHEMBL10809218

CCCc1c(OCc2ccccc2)ccc2c(=O)cc(C=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE5A O76074 2/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSD P07339 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.36
▸ APP P05067 1/20 0.35

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
SCHEMBL10810642 0.84 KDM4E (0.41) MAPTPDE5ACTSDKDM4EALDH1A1
SCHEMBL10808457 0.84 KDM4E (0.41) MAPTPDE5ACTSDKDM4EALDH1A1
SCHEMBL10812819 0.83 PDE5A (0.41) NPC1RAB9AMAPTSMN1; SMN2PDE5A
SCHEMBL10812031 0.79 FFAR4 (0.44) MAPTPDE5AKDM4EALDH1A1POLB
SCHEMBL10972035 0.76 PDE5A (0.52) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL29957385 0.71 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL10959657 0.69 ERN1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7046194 0.69 SMN1; SMN2 (0.43) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9118750 0.69 MAOB (0.47) PDE5AMAPK14P2RY12
SCHEMBL31501813 0.69 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079637-B1 ANTI-SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL FORMULATION CONTAINING THEM FISONS plc (GB) 1987-01-28 — — EP disclosed
US-4474788-A Anti-SRSA quinoline carboxylic acid derivatives FISONS PLC (GB) 1984-10-02 — — US disclosed
EP-0079637-A1 Anti-srs-a carboxylic acid derivatives, processes for their production, and pharmaceutical formulation containing them FISONS plc (GB) 1983-05-25 — — EP disclosed
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