SCHEMBL7375114

SCHEMBL7375114

N=C(N)Nc1cccc(C(=O)CNc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48
FFAR1 O14842 12/20 0.47
FFAR4 Q5NUL3 6/20 0.46
AKR1C3 P42330 1/20 0.46
GNA15 P30679 1/20 0.43
PTGER3 P43115 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL7377400 0.85 MAPT (0.47) F2F10AKR1C3TDP1ALDH1A1
SCHEMBL7373419 0.85 ITGB3 (0.66) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7375119 0.83 FFAR1 (0.47) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7450519 0.81 PPARG (0.65) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7379804 0.81 ITGB3 (0.55) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7375111 0.80 ITGB3 (0.49) ITGB3ITGA2BF2F10ITGB1
SCHEMBL7861970 0.79 ITGB3 (0.76) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL4109710 0.78 FFAR1 (0.53) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7520428 0.78 PARP1 (0.42) ITGB3ITGA2BF10ITGAVAKR1C3
SCHEMBL7379531 0.77 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGAVITGB5

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 7 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
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