SCHEMBL10417837

SCHEMBL10417837

CCSC1=NOC(CN(N[C@@H](CCC(=O)O)C(=O)O)C(=O)OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGAV P06756 11/20 0.38
FOLH1 Q04609 6/20 0.37
ITGA2B P08514 6/20 0.37
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
ECE1 P42892 1/20 0.35
P2RY12 Q9H244 2/20 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
SCHEMBL9825638 0.77 TGM2 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4877584 0.77 TGM2 (0.47) ITGB3ITGAVITGA2B
SCHEMBL9826660 0.73 TGM2 (0.49) ITGB3ITGAVITGA2B
SCHEMBL9827314 0.72 SLC7A5 (0.38) ITGB3ITGA2B
SCHEMBL9825943 0.72 TGM2 (0.59) ITGB3ITGAV
SCHEMBL10795296 0.72 TGM2 (0.44) ITGB3ITGAVITGA2BMMEACE
SCHEMBL9825261 0.70 ITGB3 (0.34) ITGB3ITGAVITGA2BMMEACE
SCHEMBL9825407 0.69 TGM2 (0.42) ITGB3ITGA2B
SCHEMBL9826397 0.69 TGM2 (0.69)
SCHEMBL9826404 0.68 TGM2 (0.44) ITGB3ITGAVITGA2BMMEACE

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-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed