SCHEMBL7900087

SCHEMBL7900087

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ITGB3 P05106 14/20 0.39
ITGAV P06756 11/20 0.39
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 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
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL4698454 0.89 POLB (0.42) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7901816 0.87 POLB (0.45) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7898692 0.85 GAA (0.44) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7900088 0.85 HPGD (0.46) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7900090 0.85 GAA (0.41) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL4702523 0.84 GAA (0.48) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7904023 0.83 GAA (0.42) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7892878 0.83 FOLH1 (0.47) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7900081 0.82 GAA (0.41) GAAITGB3ITGAVTAS1R3TAS1R1
SCHEMBL7898800 0.82 GAA (0.41) GAAITGB3ITGAVTAS1R3TAS1R1

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