SCHEMBL7363344

SCHEMBL7363344

COCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.63
ITGA2B P08514 14/20 0.63
ITGAV P06756 1/20 0.54
HDAC8 Q9BY41 2/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8341037 0.97 ITGB3 (0.60) ITGB3ITGA2BITGAVHDAC8POLB
SCHEMBL25320494 0.88 HDAC8 (0.58) ITGB3ITGA2BHDAC8ALDH1A1ALOX15
SCHEMBL30149863 0.88 ITGB3 (0.67) ITGB3ITGA2BITGAVPOLBMAPT
SCHEMBL8337850 0.88 ITGB3 (0.60) ITGB3ITGA2BITGAVHDAC8ALDH1A1
SCHEMBL9219338 0.87 CTSK (0.62) ITGB3ITGA2BALDH1A1ALOX15POLB
SCHEMBL19485480 0.87 CTSK (0.62) ITGB3ITGA2BALDH1A1ALOX15POLB
SCHEMBL8336016 0.87 ITGB3 (0.59) ITGB3ITGA2BHDAC8ALDH1A1
SCHEMBL5175372 0.85 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL8770345 0.85 ITGB3 (0.69) ITGB3ITGA2BITGAVHDAC8ALDH1A1
SCHEMBL29260893 0.85 ITGB3 (0.66) ITGB3ITGA2BITGAVALDH1A1ALOX15

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
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed