SCHEMBL7902080

SCHEMBL7902080

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1ccc(C)o1)Cc1ccc(C)o1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
ITGB3 P05106 12/20 0.39
ITGA2B P08514 9/20 0.39
ITGAV P06756 4/20 0.39
KMT2A Q03164 1/20 0.37
CYP26A1 O43174 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
ITGB8 P26012 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL4699864 0.87 MAPT (0.44) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4698663 0.86 GAA (0.47) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4699846 0.85 GAA (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4702523 0.84 GAA (0.48) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL6122200 0.84 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL6127212 0.84 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL6127110 0.84 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL20530282 0.84 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4698443 0.84 POLB (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL17009347 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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