SCHEMBL7904023

SCHEMBL7904023

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccc(N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MMP9 P14780 1/20 0.41
PLAUR Q03405 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
ITGB3 P05106 8/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 3/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FOLH1 Q04609 1/20 0.37
KMT2A Q03164 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
SCHEMBL7900088 0.93 HPGD (0.46) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7892878 0.92 FOLH1 (0.47) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7898913 0.90 GAA (0.42) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7900090 0.87 GAA (0.41) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7904038 0.87 ITGB3 (0.39) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4699864 0.87 MAPT (0.44) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL4702523 0.86 GAA (0.48) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7892930 0.86 KMT2A (0.44) GAATAS1R3TAS1R1ITGB3ITGAV
SCHEMBL7898800 0.85 GAA (0.41) GAATAS1R3TAS1R1ITGB3ITGA2B
SCHEMBL7900081 0.85 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