SCHEMBL7382175

SCHEMBL7382175

CCOC(=O)CCc1ccc(NC(=O)c2cccc(/C(N)=N\O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.51
ITGB5 P18084 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL7379315 1.00 MEN1 (0.51) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7380420 0.87 EPHX2 (0.50) L3MBTL1RAB9ATDP1CYP4F2CYP4A11
SCHEMBL7380417 0.87 EPHX2 (0.50) L3MBTL1RAB9ATDP1CYP4F2CYP4A11
SCHEMBL7379154 0.87 PLAU (0.55) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7377053 0.85 KMT2A (0.53) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7454434 0.84 ITGB3 (0.69) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7454430 0.84 ITGB3 (0.69) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7377969 0.83 KMT2A (0.51) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL7862004 0.82 MMP13 (0.47) L3MBTL1RAB9ATDP1SMN1; SMN2LMNA
SCHEMBL7457222 0.82 MEN1 (0.50) MEN1KMT2AITGB3ITGB1ITGAV

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 8 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