SCHEMBL7347339

SCHEMBL7347339

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.51
MAOA P21397 10/20 0.51
RCOR1 Q9UKL0 4/20 0.51
KDM1B Q8NB78 2/20 0.51
ITGB3 P05106 2/20 0.50
ITGB1 P05556 2/20 0.50
ITGAV P06756 2/20 0.50
ITGA2B P08514 2/20 0.50
ITGB5 P18084 2/20 0.50
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 2/20 0.44
MAOB P27338 8/20 0.43
PLAU P00749 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL7347314 0.87 ALDH1A1 (0.45) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7347347 0.86 ITGB3 (0.48) KDM1AMAOARCOR1KDM1BITGB3
SCHEMBL7376998 0.84 ITGB3 (0.68) KDM1AMAOARCOR1KDM1BITGB3
SCHEMBL7377969 0.78 KMT2A (0.51) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7510028 0.75 CA12 (0.51) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7347325 0.75 NPC1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
Bicarbonate SCHEMBL7764859 0.74 HDAC3 (0.51) KDM1AMAOARCOR1KDM1BITGB3
SCHEMBL7769226 0.74 KMT2A (0.47) KDM1AMAOARCOR1KDM1BITGB3
SCHEMBL8687140 0.73 KMT2A (0.65) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL7376667 0.73 ITGB3 (0.52) ITGB3ITGA2BNPC1KMT2AMEN1

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 6 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
EP-0889875-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036858-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed