SCHEMBL10754142

SCHEMBL10754142

CCN(CC)C(=C(C(=O)O)C(=O)O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.50
▸ DAO P14920 1/20 0.47
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KIF11 P52732 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL6938391 0.78 USP2 (0.69) USP2DAOALDH1A1NPC1RAB9A
SCHEMBL4963671 0.76 USP2 (0.68) USP2DAOALDH1A1NPC1RAB9A
SCHEMBL5160857 0.72 ERCC5 (0.56) USP2ERCC5FEN1ALDH1A1NPC1
SCHEMBL3455402 0.72 USP2 (0.79) USP2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17318734 0.70 USP2 (0.49) USP2DAOALDH1A1NPC1RAB9A
SCHEMBL17285675 0.69 CES2 (0.55) USP2DAOALDH1A1NPC1RAB9A
SCHEMBL22080098 0.69 ALDH1A1 (0.56) USP2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10755506 0.68 DAO (0.57) USP2DAOERCC5FEN1ALDH1A1
Thiophene Carboxylic Acid SCHEMBL27740309 0.68 DAO (0.76) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL10441460 0.68 DAO (0.57) DAOERCC5FEN1ALDH1A1NPC1

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-4663329-A Thienopyridinone derivatives and anti-bacterial compositions containing them SANOFI (FR) 1987-05-05 — — US disclosed
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