SCHEMBL9348808

SCHEMBL9348808

NC(=O)c1ccc2c(c1-c1c(C(N)=O)ccc3c1OCO3)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
AOC3 Q16853 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SYK P43405 1/20 0.39
PARP1 P09874 3/20 0.39
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TSHR P16473 1/20 0.37
PI4K2A Q9BTU6 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL9695924 0.87 NPC1 (0.42) NPC1RAB9AAOC3SYKPARP1
SCHEMBL9589362 0.85 NPC1 (0.34) NPC1RAB9AAOC3SMN1; SMN2CASP3
SCHEMBL1172101 0.84 NPC1 (0.40) NPC1RAB9AAOC3SMN1; SMN2CASP3
SCHEMBL9349416 0.83 ALDH1A1 (0.47) NPC1RAB9AAOC3SMN1; SMN2ALDH1A1
SCHEMBL12866048 0.82 AOC3 (0.42) NPC1RAB9AAOC3SMN1; SMN2CASP3
SCHEMBL9348856 0.81 SMN1; SMN2 (0.41) NPC1RAB9AAOC3SMN1; SMN2ALDH1A1
SCHEMBL29625406 0.78 PARP1 (0.54) NPC1RAB9ASYKPARP1ALDH1A1
SCHEMBL1720148 0.78 PARP1 (0.54) NPC1RAB9ASYKPARP1ALDH1A1
SCHEMBL20241714 0.74 PARP1 (0.43) NPC1RAB9ASMN1; SMN2PARP1ALDH1A1
SCHEMBL7853968 0.73 ALDH1A1 (0.44) NPC1RAB9AAOC3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401125-B1 Biphenyl derivatives, process for preparing the same and intermediates therefor TANABE SEIYAKU CO (JP) 1994-08-24 EP disclosed
US-5233057-A For treatment or prophylaxis of liver disorders TANABE SEIYAKU CO., LTD. (JP) 1993-08-03 US disclosed
US-5182404-A Liver disorders TANABE SEIYAKE CO., LTD. (JP) 1993-01-26 US disclosed
US-5103023-A Carboxy derivates with oxy subsitituents for treating liuer disorders TANABE SEIYAKU CO., LTD. (JP) 1992-04-07 US disclosed
EP-0401125-A2 Biphenyl derivatives, process for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1990-12-05 EP disclosed