SCHEMBL7892913

SCHEMBL7892913

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGA2B P08514 6/20 0.40
GAA P10253 2/20 0.39
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
ITGAV P06756 2/20 0.38
ALDH1A1 P00352 1/20 0.38
F2R P25116 1/20 0.38
CCKBR P32239 1/20 0.38
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 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
SCHEMBL7900498 0.89 CCR1 (0.46) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL7904100 0.88 ITGB3 (0.41) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL7892917 0.82 ITGB3 (0.44) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL4701020 0.81 P2RY12 (0.43) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL4698653 0.81 LMNA (0.47) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL7900328 0.80 ALDH1A1 (0.43) ITGB3GAAITGAVALDH1A1LMNA
SCHEMBL4702813 0.80 ALDH1A1 (0.45) ITGB3ITGA2BGAATAS1R3TAS1R1
SCHEMBL4698338 0.80 ALDH1A1 (0.47) GAATAS1R3TAS1R1ALDH1A1ADRA1D
SCHEMBL4701238 0.78 PKM (0.45) ITGB3ITGA2BGAAALDH1A1F2R
SCHEMBL7901896 0.78 GAA (0.44) ITGB3ITGA2BGAATAS1R3TAS1R1

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