SCHEMBL8093954

SCHEMBL8093954

NCC(NC(=O)Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
FPR2 P25090 11/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8088674 0.85 FPR2 (0.56) FOLH1FPR2
SCHEMBL4600137 0.84 FOLH1 (0.63) FOLH1FPR2CA1CA2
SCHEMBL4600141 0.84 FOLH1 (0.63) FOLH1FPR2CA1CA2
SCHEMBL7448276 0.84 CA12 (0.53) FPR2ALDH1A1CA12CA1CA2
SCHEMBL7448273 0.84 CA12 (0.53) FPR2ALDH1A1CA12CA1CA2
SCHEMBL6375538 0.81 FPR2 (0.75) FOLH1FPR2ALDH1A1
SCHEMBL6375530 0.81 FPR2 (0.75) FOLH1FPR2ALDH1A1
SCHEMBL6376189 0.81 FPR2 (0.75) FOLH1FPR2ALDH1A1
SCHEMBL14948910 0.79 FOLH1 (0.61) FOLH1FPR2ALDH1A1CA1CA2
SCHEMBL21141315 0.74 RAB9A (0.56) ALDH1A1CA12CA1CA2CA4

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