SCHEMBL7898692

SCHEMBL7898692

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1ncco1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
ITGB3 P05106 14/20 0.38
ITGA2B P08514 8/20 0.38
ITGAV P06756 7/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
F2R P25116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 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
SCHEMBL7900088 0.87 HPGD (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7900081 0.86 GAA (0.41) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7900087 0.85 GAA (0.41) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4702523 0.84 GAA (0.48) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7904023 0.83 GAA (0.42) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7892878 0.83 FOLH1 (0.47) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7898913 0.83 GAA (0.42) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7898800 0.83 GAA (0.41) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7901816 0.83 POLB (0.45) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7902069 0.83 GAA (0.41) 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