SCHEMBL7274052

SCHEMBL7274052

NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCCOc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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
SCHEMBL7274755 0.95 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7284926 0.94 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5ITGB3
Hydrochloric Acid SCHEMBL7274706 0.93 FFAR1 (0.40) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7284295 0.93 S1PR1 (0.40) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7272371 0.92 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR5ITGB3
Trifluoroacetic Acid SCHEMBL7275530 0.90 FFAR1 (0.39) FFAR1S1PR1S1PR3S1PR5ITGB3
SCHEMBL7280816 0.90 SSTR5 (0.43) FFAR1
Water SCHEMBL7277736 0.90 SIGMAR1 (0.41) FFAR1S1PR1S1PR3S1PR5
SCHEMBL7274420 0.89 SSTR5 (0.34) FFAR1S1PR1ITGB3ITGA2B
SCHEMBL7280302 0.89 ALDH1A1 (0.40) FFAR1S1PR1S1PR3S1PR5

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