SCHEMBL3129444

SCHEMBL3129444

CSCC[C@@H](CSc1ccccc1)NC(=O)N[C@H](CSc1ccccc1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.49
PLA2G2A P14555 3/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
ANPEP P15144 1/20 0.39
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL3136481 0.99 PLA2G10 (0.48) PLA2G10PLA2G2AMTNR1AMTNR1BANPEP
SCHEMBL3141451 0.84 ANPEP (0.42) PLA2G10PLA2G2AMTNR1AMTNR1BANPEP
SCHEMBL3131191 0.79 ITGB3 (0.42)
SCHEMBL6898811 0.75 MTNR1A (0.48) PLA2G10PLA2G2AMTNR1AMTNR1BFFAR1
SCHEMBL6898805 0.75 MTNR1A (0.48) PLA2G10PLA2G2AMTNR1AMTNR1BFFAR1
SCHEMBL22409416 0.73 PLA2G10 (0.50) PLA2G10PLA2G2AMTNR1AMTNR1BALDH1A1
SCHEMBL22409417 0.73 PLA2G10 (0.50) PLA2G10PLA2G2AMTNR1AMTNR1BALDH1A1
SCHEMBL3133004 0.70 ITGB3 (0.44) ALDH1A1
SCHEMBL13269905 0.69 MAOA (0.38) PLA2G10MTNR1AMTNR1BALDH1A1
SCHEMBL26648108 0.69 MTNR1A (0.50) PLA2G10PLA2G2AMTNR1AMTNR1BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079825-B1 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2010-07-21 EP disclosed
EP-1079825-A4 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP disclosed
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US disclosed
EP-1079825-A2 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-03-07 EP disclosed
US-6096773-A INHIBITOR OF BINDING OF INTEGRIN TO ITS RECEPTORS, SUCH AS (VASCULAR CELL ADHESION MOLECULE-1) AND FIBRONECTIN AND USEFUL FOR CONTROLLING THE DISEASES INDUCED BY BINDING TEXAS BIOTECHNOLOGY CORPORATION, INC. (US) 2000-08-01 US disclosed
WO-1999052493-A2 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO disclosed