SCHEMBL4701020

SCHEMBL4701020

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
GAA P10253 1/20 0.41
ITGB3 P05106 2/20 0.41
FOLH1 Q04609 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGAV P06756 1/20 0.41
BMP1 P13497 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL4698338 0.84 ALDH1A1 (0.47) TAS1R3TAS1R1GAA
SCHEMBL7900104 0.84 APOBEC3A (0.47)
SCHEMBL7900498 0.83 CCR1 (0.46) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL4698653 0.82 LMNA (0.47) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL7904100 0.82 ITGB3 (0.41) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL7900328 0.81 ALDH1A1 (0.43) GAAITGB3ITGAV
SCHEMBL4702813 0.81 ALDH1A1 (0.45) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL7901896 0.81 GAA (0.44) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL7892913 0.81 ITGB3 (0.40) TAS1R3TAS1R1GAAITGB3ITGA2B
SCHEMBL4701810 0.81 ALDH1A1 (0.44) GAAITGB3ITGA2BITGAV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed