SCHEMBL7274420

SCHEMBL7274420

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.33
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
LTA4H P09960 5/20 0.32
SIGMAR1 Q99720 1/20 0.32
S1PR1 P21453 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
SCHEMBL7284926 0.93 FFAR1 (0.41) SSTR5ITGB3ITGA2BALDH1A1LMNA
SCHEMBL7284295 0.93 S1PR1 (0.40) SSTR5ITGB3ITGA2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL7274706 0.93 FFAR1 (0.40) SSTR5ITGB3ITGA2BALDH1A1LMNA
SCHEMBL7280816 0.92 SSTR5 (0.43) SSTR5FFAR1LTA4H
SCHEMBL7274755 0.91 FFAR1 (0.41) SSTR5ITGB3ITGA2BALDH1A1LMNA
SCHEMBL7272371 0.90 FFAR1 (0.41) SSTR5ITGB3ITGA2BALDH1A1LMNA
Water SCHEMBL7277736 0.90 SIGMAR1 (0.41) SSTR5ALDH1A1LMNAMAPTFFAR1
SCHEMBL7274052 0.89 FFAR1 (0.43) ITGB3ITGA2BFFAR1S1PR1
SCHEMBL7280302 0.89 ALDH1A1 (0.40) SSTR5ALDH1A1LMNAMAPTFFAR1
Trifluoroacetic Acid SCHEMBL7275530 0.87 FFAR1 (0.39) SSTR5ITGB3ITGA2BALDH1A1LMNA

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