SCHEMBL7299382

SCHEMBL7299382

NCCCCCCCCOc1ccc(CC(C(=O)O)N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.57
ITGA2B P08514 15/20 0.57
EPOR P19235 2/20 0.45
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR1 O14842 1/20 0.41

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
Hydrochloric Acid SCHEMBL9155255 0.99 ITGB3 (0.56) ITGB3ITGA2BEPORPPARGPPARA
Hydrochloric Acid SCHEMBL7299252 0.99 ITGB3 (0.56) ITGB3ITGA2BEPORPPARGPPARA
Hydrochloric Acid SCHEMBL7299604 0.99 ITGB3 (0.56) ITGB3ITGA2BEPORPPARGPPARA
SCHEMBL7292955 0.90 ITGB3 (0.45) ITGB3ITGA2BPPARGPPARAFFAR1
SCHEMBL7291522 0.88 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARAFFAR1
SCHEMBL7391463 0.88 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARAFFAR1
SCHEMBL10686536 0.83 CYP1A2 (0.43) PPARGPPARA
SCHEMBL7386323 0.83 ITGB3 (0.43) ITGB3ITGA2BPPARGPPARA
SCHEMBL7300626 0.82 KDM4E (0.60) ITGB3ITGA2B
SCHEMBL7324330 0.82 ITGB3 (0.43) ITGB3ITGA2BEPORPPARGPPARA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP claimed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US claimed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP claimed
EP-0528586-B1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO INC (US) 1995-02-22 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
US-5217994-A METHOD OF INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION BY ADMINISTRATION OF AMINOALKYL-SUBSTITUTED PHENYL DERIVATIVES MERCK & CO., INC. (US) 1993-06-08 US disclosed
US-5204350-A Treating osteoporosis MERCK & CO., INC. (US) 1993-04-20 US disclosed
EP-0528587-A1 Inhibiting osteoclast-mediated bone resorption using substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0528586-A1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed