SCHEMBL7347347

SCHEMBL7347347

CCOC(=O)C1CC1c1ccc(NC(=O)c2cccc(NC=NN)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGB1 P05556 2/20 0.48
ITGAV P06756 2/20 0.48
ITGA2B P08514 2/20 0.48
ITGB5 P18084 2/20 0.48
KDM1A O60341 11/20 0.47
MAOA P21397 10/20 0.47
RCOR1 Q9UKL0 4/20 0.47
KDM1B Q8NB78 2/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
MAOB P27338 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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 0.87 NPC1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7347339 0.86 KDM1A (0.51) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7377004 0.85 ITGB3 (0.64) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7377976 0.79 KMT2A (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7510036 0.77 CA12 (0.49) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7452094 0.76 ITGB3 (0.48) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL7769230 0.75 KMT2A (0.46) ITGB3ITGA2BKDM1AMAOARCOR1
SCHEMBL7378476 0.74 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7380254 0.74 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7353486 0.74 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA2BITGB5

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