SCHEMBL4700843

SCHEMBL4700843

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(CCOCC)CCOCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
ITGB3 P05106 8/20 0.40
ITGA2B P08514 7/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGAV P06756 2/20 0.39
CCKBR P32239 2/20 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
SCHEMBL4698663 0.91 GAA (0.47) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4699846 0.86 GAA (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4702523 0.86 GAA (0.48) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4701718 0.85 ITGB3 (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4700412 0.85 RAB9A (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4699864 0.85 MAPT (0.44) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL6127212 0.82 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL17009347 0.82 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7902080 0.82 GAA (0.42) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL20530282 0.82 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP disclosed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO disclosed