SCHEMBL7283786

SCHEMBL7283786

NCc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.73
ITGA2B P08514 1/20 0.73
PPARD Q03181 15/20 0.42
PPARA Q07869 8/20 0.42
PPARG P37231 5/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.35
MMP2 P08253 1/20 0.34

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
SCHEMBL7273790 0.91 ITGB3 (0.70) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7285473 0.89 ITGB3 (0.62) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7280863 0.88 ITGB3 (0.61) ITGB3ITGA2BPPARDPPARAPPARG
Hydrochloric Acid SCHEMBL7281221 0.87 ITGB3 (0.57) ITGB3ITGA2BFFAR4IRAK4
SCHEMBL7283166 0.85 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAPPARG
SCHEMBL7284201 0.85 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAPPARG
Fradafiban SCHEMBL380350 0.84 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL8863359 0.84 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL7280818 0.84 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL6902256 0.83 ITGB3 (0.68) ITGB3ITGA2BPPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed