SCHEMBL7372805

SCHEMBL7372805

CCOC(=O)CCc1cccc(NC(=O)c2cccc(C=NN)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
BRD4 O60885 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 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
SCHEMBL7457222 0.91 MEN1 (0.50) MAPTITGB3ITGA2BNPC1RAB9A
SCHEMBL7856484 0.90 KMT2A (0.51) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL7457429 0.86 ITGB3 (0.60) ITGB3ITGA2BKMT2ASMN1; SMN2NR1H4
SCHEMBL7380699 0.86 PPARG (0.44) SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL7377235 0.82 EPHX2 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL7372797 0.82 ITGB3 (0.60) MAPTITGB3ITGA2BNPC1RAB9A
SCHEMBL7856524 0.79 HPSE (0.57) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7377976 0.79 KMT2A (0.48) MAPTITGB3ITGA2BNPC1RAB9A
SCHEMBL7377053 0.77 KMT2A (0.53) MAPTITGB3ITGA2BNPC1RAB9A
SCHEMBL7371865 0.76 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1NR1H4

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-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US claimed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed