SCHEMBL7376558

SCHEMBL7376558

N=C(N)Nc1cccc(C(=O)Nc2ccc(CCC(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.70
ITGA2B P08514 7/20 0.70
ITGAV P06756 5/20 0.70
ITGB1 P05556 2/20 0.47
ITGB5 P18084 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
HPSE Q9Y251 1/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
SIRT2 Q8IXJ6 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
SCHEMBL7380122 0.90 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378623 0.87 SMN1; SMN2 (0.58) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7376564 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7458369 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7508093 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7379949 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7373419 0.84 ITGB3 (0.66) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7861970 0.82 ITGB3 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378803 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7372597 0.81 KCNK3 (0.50) ITGB3ITGA2BITGAVITGB1ITGB5

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-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