SCHEMBL7280992

SCHEMBL7280992

CONC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.76
ITGA2B P08514 2/20 0.76
PPARD Q03181 6/20 0.36
PPARA Q07869 3/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
IRAK4 Q9NWZ3 6/20 0.34
LTA4H P09960 1/20 0.33
RARB P10826 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL7273988 0.92 ITGB3 (0.64) ITGB3ITGA2BIRAK4LTA4H
SCHEMBL7285046 0.90 ITGB3 (0.73) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7273484 0.89 ITGB3 (0.77) ITGB3ITGA2BPPARDPPARAFFAR1
Fradafiban SCHEMBL380350 0.87 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL8863359 0.87 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL7280818 0.86 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7276254 0.85 ITGB3 (0.72) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7273255 0.85 ITGB3 (0.68) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7275650 0.83 ITGB3 (0.63) ITGB3ITGA2BIRAK4LTA4H
Lefradafiban SCHEMBL7080546 0.82 ITGB3 (0.62) ITGB3ITGA2BIRAK4LTA4HFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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