SCHEMBL10812819

SCHEMBL10812819

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ PIK3CG P48736 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ APP P05067 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL10809218 0.83 NPC1 (0.42) PDE5AFFAR4PIK3CGCTSVCTSL
SCHEMBL10812031 0.81 FFAR4 (0.44) PDE5AFFAR4BRD4KDM4EALDH1A1
SCHEMBL10810642 0.78 KDM4E (0.41) PDE5AFFAR4KDM4EALDH1A1POLB
SCHEMBL10808457 0.78 KDM4E (0.41) PDE5AFFAR4KDM4EALDH1A1POLB
SCHEMBL10972035 0.70 PDE5A (0.52) PDE5AKDM4EALDH1A1POLBMAPT
SCHEMBL10972521 0.69 PDE5A (0.55) PDE5AFFAR4MAPTFFAR1PPARG
SCHEMBL9118750 0.69 MAOB (0.47) PDE5ALMNAPPARGPPARDPPARA
SCHEMBL23512775 0.69 POLB (0.56) RHEBBRD4ALDH1A1POLBMAPT
SCHEMBL71120 0.68 GSTP1 (0.44) RHEBPOLBMAPTLMNAPPARG
SCHEMBL10974265 0.68 PDE5A (0.53) PDE5AKDM4EALDH1A1POLBMAPT

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
Send feedback