SCHEMBL8088674

SCHEMBL8088674

NCC(NC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 13/20 0.56
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HSD17B10 Q99714 1/20 0.51
FOLH1 Q04609 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL8093954 0.85 FOLH1 (0.53) FPR2FOLH1
SCHEMBL28216420 0.83 FOLH1 (0.61) FPR2FOLH1
SCHEMBL9333451 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL18277722 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL9056129 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL11418240 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL9333446 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL6375756 0.81 FPR2 (0.81) FPR2FOLH1
SCHEMBL6381444 0.81 FPR2 (0.81) FPR2FOLH1
SCHEMBL6375751 0.81 FPR2 (0.81) FPR2FOLH1

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-1051625-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES Du Pont Pharmaceuticals Company (US) 2000-11-15 EP disclosed
WO-1999038014-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-29 WO disclosed