SCHEMBL4004791

SCHEMBL4004791

Cc1cccc(CN(C(=O)C(=O)O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 11/20 0.77
NR1H4 Q96RI1 3/20 0.46
PTGER4 P35408 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL1242160 0.99 SERPINE1 (0.76) SERPINE1NR1H4PTGER4PTGESALOX5
SCHEMBL1242182 0.90 SERPINE1 (0.76) SERPINE1NR1H4PTGER4
SCHEMBL1242152 0.89 SERPINE1 (0.62) SERPINE1NR1H4PTGER4PTGESALOX5
SCHEMBL1242162 0.89 SERPINE1 (0.62) SERPINE1NR1H4PTGER4PTGESALOX5
SCHEMBL1241464 0.89 SERPINE1 (0.74) SERPINE1NR1H4PTGER4
SCHEMBL1239623 0.87 SERPINE1 (1.00) SERPINE1NR1H4PTGESALOX5
SCHEMBL1241371 0.86 SERPINE1 (0.80) SERPINE1NR1H4
SCHEMBL1239730 0.85 SERPINE1 (0.90) SERPINE1NR1H4PTGESALOX5
SCHEMBL1241400 0.84 SERPINE1 (0.93) SERPINE1NR1H4PTGESALOX5
SCHEMBL1242512 0.84 SERPINE1 (0.93) SERPINE1NR1H4PTGESALOX5

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
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed