SCHEMBL7280816

SCHEMBL7280816

NCCCCc1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.43
FFAR1 O14842 4/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LTA4H P09960 4/20 0.41
MGLL Q99685 2/20 0.40
EPHX2 P34913 1/20 0.40
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.38
EPOR P19235 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7284926 0.96 FFAR1 (0.41) SSTR5FFAR1LTA4H
Hydrochloric Acid SCHEMBL7274706 0.95 FFAR1 (0.40) SSTR5FFAR1LTA4H
SCHEMBL7284295 0.95 S1PR1 (0.40) SSTR5FFAR1
SCHEMBL7274755 0.94 FFAR1 (0.41) SSTR5FFAR1
SCHEMBL7272371 0.93 FFAR1 (0.41) SSTR5FFAR1
Water SCHEMBL7277736 0.93 SIGMAR1 (0.41) SSTR5FFAR1LTA4H
SCHEMBL7274420 0.92 SSTR5 (0.34) SSTR5FFAR1LTA4H
SCHEMBL7280302 0.92 ALDH1A1 (0.40) SSTR5FFAR1LTA4H
SCHEMBL7274052 0.90 FFAR1 (0.43) FFAR1
SCHEMBL7275542 0.90 ALDH1A1 (0.40) SSTR5FFAR1FFAR4LTA4H

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