SCHEMBL7904038

SCHEMBL7904038

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccc(NCC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.39
ITGA2B P08514 9/20 0.39
GAA P10253 1/20 0.38
F2R P25116 1/20 0.38
ITGAV P06756 4/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
KMT2A Q03164 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MCHR1 Q99705 1/20 0.35

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 0.88 HPGD (0.46) ITGB3ITGA2BGAAITGAVTAS1R3
SCHEMBL7892878 0.87 FOLH1 (0.47) ITGB3ITGA2BGAAITGAVTAS1R3
SCHEMBL7904023 0.87 GAA (0.42) ITGB3ITGA2BGAAITGAVTAS1R3
SCHEMBL7898913 0.85 GAA (0.42) ITGB3ITGA2BGAAF2RITGAV
SCHEMBL7900090 0.83 GAA (0.41) ITGB3ITGA2BGAAITGAVTAS1R3
SCHEMBL4701718 0.82 ITGB3 (0.45) ITGB3ITGA2BGAAF2RITGAV
SCHEMBL4702523 0.82 GAA (0.48) ITGB3ITGA2BGAAF2RITGAV
SCHEMBL7892930 0.81 KMT2A (0.44) ITGB3GAAITGAVTAS1R3TAS1R1
SCHEMBL4699864 0.81 MAPT (0.44) ITGB3ITGA2BGAAITGAVTAS1R3
SCHEMBL7898800 0.80 GAA (0.41) ITGB3ITGA2BGAAF2RITGAV

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