SCHEMBL7549335

SCHEMBL7549335

COC(=O)c1c2c3c(cc(Cl)cc3n1S(=O)(=O)c1ccccc1)CCC2C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.35
HTR6 P50406 5/20 0.35
STS P08842 3/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
TGFBR1 P36897 1/20 0.33
CNR1 P21554 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
HSD17B10 Q99714 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL7549297 0.90 MAPK8 (0.36) MAPK8HTR6MAPK9MAPK10ITGB1
SCHEMBL7549547 0.80 PPARD (0.35) MAPK8HTR6PPARGPPARAMAPK9
SCHEMBL7550102 0.74 NLRP3 (0.37) MAPK8HTR6PPARGPPARAMAPK9
SCHEMBL8341597 0.64 NOD2 (0.43) PPARGPPARANOD2NOD1
SCHEMBL31279562 0.63 CCR5 (0.38) HTR6STS
SCHEMBL19252346 0.63 CCR5 (0.38) HTR6STS
SCHEMBL8875805 0.63 NOD2 (0.42) PPARGPPARANOD2NOD1
SCHEMBL31279557 0.61 HTR6 (0.42) HTR6
SCHEMBL23940019 0.61 BRD4 (0.46) HSD17B10
SCHEMBL8874979 0.60 NOD2 (0.49) NOD2NOD1

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-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed