SCHEMBL7377976

SCHEMBL7377976

CCOC(=O)CCc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48
ITGB5 P18084 1/20 0.48
FFAR1 O14842 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP4Z1 Q86W10 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
NR1H4 Q96RI1 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL7377411 0.86 CYP4Z1 (0.44) FFAR1CYP4Z1MAPTL3MBTL1NPC1
SCHEMBL7373424 0.86 ITGB3 (0.64) KMT2AMEN1ITGB3ITGB1ITGAV
SCHEMBL7457222 0.86 MEN1 (0.50) KMT2AMEN1HTTITGB3ITGB1
SCHEMBL7377969 0.85 KMT2A (0.51) KMT2AMEN1HTTITGB3ITGB1
SCHEMBL7862050 0.84 PPARG (0.44) KMT2AMEN1HTTCYP4Z1MAPT
SCHEMBL7377053 0.84 KMT2A (0.53) KMT2AMEN1HTTITGB3ITGB1
SCHEMBL7498968 0.84 LMNA (0.43) KMT2AMEN1ITGB3ITGAVITGA2B
SCHEMBL7379154 0.82 PLAU (0.55) KMT2AMEN1HTTITGB3ITGB1
SCHEMBL7510036 0.82 CA12 (0.49) KMT2AMEN1HTTITGB3ITGB1
SCHEMBL7456283 0.81 ITGB3 (0.43) KMT2AMEN1HTTITGB3ITGB1

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 10 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
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
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 disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed