SCHEMBL7375119

SCHEMBL7375119

NN=CNc1cccc(C(=O)CNc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.47
FFAR4 Q5NUL3 8/20 0.47
AKR1C3 P42330 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45
GNA15 P30679 1/20 0.42
PTGER3 P43115 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7377411 0.87 CYP4Z1 (0.44) FFAR1FFAR4AKR1C3TDP1
SCHEMBL7520432 0.84 AKR1C3 (0.44) FFAR1FFAR4AKR1C3ITGB3ITGB1
SCHEMBL7373424 0.84 ITGB3 (0.64) FFAR1ITGB3ITGB1ITGAVITGA2B
SCHEMBL7375114 0.83 ITGB3 (0.51) FFAR1FFAR4AKR1C3ITGB3ITGB1
SCHEMBL7375393 0.83 AKR1C3 (0.43) FFAR1FFAR4AKR1C3ITGB3ITGAV
SCHEMBL7379916 0.81 PPARG (0.51) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7452332 0.81 PPARG (0.63) FFAR1ITGB3ITGB1ITGAVITGA2B
SCHEMBL7458413 0.81 FFAR1 (0.43) FFAR1FFAR4ITGB3ITGB1ITGAV
SCHEMBL7861974 0.77 ITGB3 (0.64) FFAR1ITGB3ITGB1ITGAVITGA2B
SCHEMBL7376815 0.76 ALDH1A1 (0.55) FFAR1FFAR4TDP1

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