SCHEMBL7550091

SCHEMBL7550091

CC(C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)O)C1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
PTGES O14684 2/20 0.31
PTGS2 P35354 1/20 0.31
TOP2A P11388 1/20 0.30
NPY1R P25929 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
CDK1 P06493 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL7547397 0.90 CNR1 (0.32) NR1I3EGFRSRCSIRT2SIRT1
SCHEMBL7548912 0.89 NR1I3 (0.31) NR1I3NPY1RSIRT2SIRT1RORC
SCHEMBL7549039 0.88 ALOX15 (0.32) NR1I3
SCHEMBL7549055 0.86 PTGES (0.33) PTGESPTGS2
Hydrochloric Acid SCHEMBL7547508 0.86 PTGES (0.33) PTGESPTGS2
SCHEMBL7548644 0.84 MAPK14 (0.32) NR1I3TOP2ANPY1RSIRT2SIRT1
SCHEMBL7550465 0.84 MAPK14 (0.31) NR1I3NPY1RSIRT2SIRT1RORC
SCHEMBL7549047 0.82 MAPK14 (0.33) NR1I3EGFRSRCSIRT2SIRT1
SCHEMBL7547271 0.81 RORC (0.31) NR1I3SIRT2SIRT1RORC
SCHEMBL7555176 0.76 KDM4E (0.31)

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