SCHEMBL6559263

SCHEMBL6559263

COC(=O)c1ccc(C=O)s1.O=Cc1ccc(C(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
DAO P14920 6/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
LIG1 P18858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2226671 0.95 NPSR1 (0.53) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL209887 0.87 DAO (0.50) DAOHPGDERN1ALDH1A1PKM
SCHEMBL20718437 0.85 NPSR1 (0.47) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL23436971 0.83 NPSR1 (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1303016 0.83 NPSR1 (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL3495814 0.81 DAO (0.43) DAOHPGDERN1ALDH1A1PKM
Hydrazine SCHEMBL27261279 0.80 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL16593904 0.79 NPSR1 (0.51) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL4082141 0.78 MAPK1 (0.53) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL4082145 0.78 MAPK1 (0.53) NPSR1LMNAPPARGNCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392643-A2 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002094767-A2 TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LABORATORIES (US) 2002-11-28 WO disclosed