SCHEMBL4701526

SCHEMBL4701526

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1cccnc1)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
HTR5A P47898 2/20 0.38
ITGB3 P05106 12/20 0.38
ITGAV P06756 8/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
ITGA2B P08514 5/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4697822 0.94 POLB (0.39) GAATAS1R3TAS1R1HTR5AITGB3
SCHEMBL4699864 0.91 MAPT (0.44) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL4697836 0.86 KMT2A (0.45) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL4700500 0.85 POLB (0.43) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL4698663 0.84 GAA (0.47) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL7900088 0.84 HPGD (0.46) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL6127212 0.83 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL17009347 0.83 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL20530282 0.83 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL6122200 0.83 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGAV

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 2 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
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed