SCHEMBL7353486

SCHEMBL7353486

COc1cc(NC(=O)c2cccc(NC=NN)c2)ccc1C1CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.46
ITGAV P06756 5/20 0.46
ITGA2B P08514 5/20 0.46
ITGB1 P05556 3/20 0.46
ITGB5 P18084 3/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL7347325 0.89 NPC1 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7353478 0.87 ALDH1A1 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7377004 0.83 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7765706 0.80 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7373351 0.79 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7347314 0.75 ALDH1A1 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7349100 0.75 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7347347 0.74 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7409787 0.72 CYP3A4 (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7458432 0.72 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889875-B1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES SEARLE & CO (US) 2001-06-20 EP claimed
EP-0889875-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036858-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0889875-B1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES SEARLE & CO (US) 2001-06-20 EP disclosed