SCHEMBL7307351

SCHEMBL7307351

CCOC(=O)C1(C(=O)OCC)CCN(C(C)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
F10 P00742 3/20 0.43
ALDH1A1 P00352 1/20 0.38
PLA2G2A P14555 9/20 0.36
CMA1 P23946 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL7307345 0.76 ITGB3 (0.47) ITGB3ITGA2BF10SIGMAR1
SCHEMBL7314436 0.72 ITGB3 (0.48) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL8858130 0.71 ITGB3 (0.45) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL8892671 0.70 ITGB3 (0.49) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL7460284 0.69 ITGB3 (0.46) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL6606264 0.69 ITGB3 (0.58) ITGB3ITGA2BF10ALDH1A1
SCHEMBL8893341 0.69 ITGB3 (0.56) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL7307035 0.68 OPRM1 (0.33)
SCHEMBL7461633 0.68 ITGB3 (0.51) ITGB3ITGA2BF10ALDH1A1PLA2G2A
SCHEMBL8858128 0.67 ITGB3 (0.46) ITGB3ITGA2BF10ALDH1A1PLA2G2A

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
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed