SCHEMBL17635995

SCHEMBL17635995

COc1ccc(C(O)C(CN2CCCC2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 10/20 0.61
OPRK1 P41145 4/20 0.53
ATM Q13315 1/20 0.53
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7925240 1.00 UGCG (0.61) UGCGOPRK1ATMMITFALDH1A1
SCHEMBL7102820 0.90 OPRK1 (0.60) UGCGOPRK1ALDH1A1LMNASMN1; SMN2
SCHEMBL299718 0.90 OPRK1 (0.60) UGCGOPRK1ALDH1A1LMNASMN1; SMN2
SCHEMBL7099886 0.90 OPRK1 (0.60) UGCGOPRK1ALDH1A1LMNASMN1; SMN2
SCHEMBL17122952 0.89 UGCG (0.55) UGCGOPRK1ITGB3ITGA2BCYP3A4
SCHEMBL7102877 0.89 OPRK1 (0.59) UGCGOPRK1ALDH1A1LMNASMN1; SMN2
SCHEMBL7925792 0.89 OPRK1 (0.54) UGCGOPRK1HIF1AITGB3ITGA2B
SCHEMBL16695234 0.88 UGCG (0.62) UGCGOPRK1ITGB3ITGA2B
SCHEMBL7923099 0.88 TP53 (0.53) UGCGOPRK1ITGB3ITGA2B
SCHEMBL12407050 0.88 TP53 (0.53) UGCGOPRK1ITGB3ITGA2B

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-2349255-B1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2016-03-30 EP disclosed