SCHEMBL4700412

SCHEMBL4700412

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
ITGB3 P05106 13/20 0.41
ITGA2B P08514 9/20 0.41
ITGAV P06756 5/20 0.40
KMT2A Q03164 1/20 0.39
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
F2R P25116 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
SCHEMBL4698663 0.89 GAA (0.47) RAB9AGAATAS1R3TAS1R1ITGB3
SCHEMBL4699846 0.88 GAA (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4702523 0.87 GAA (0.48) RAB9AGAATAS1R3TAS1R1ITGB3
SCHEMBL4699864 0.86 MAPT (0.44) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4701718 0.86 ITGB3 (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4700843 0.85 GAA (0.47) RAB9AGAATAS1R3TAS1R1ITGB3
SCHEMBL7900088 0.84 HPGD (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL6127212 0.83 POLB (0.46) RAB9AGAATAS1R3TAS1R1ITGB3
SCHEMBL17009347 0.83 POLB (0.46) RAB9AGAATAS1R3TAS1R1ITGB3
SCHEMBL7902080 0.83 GAA (0.42) 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 4 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 claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
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