SCHEMBL9795151

SCHEMBL9795151

CC(C)(CN)CNC(=O)C(C)(C)COC(=O)C(=O)OCC(C)(C)C(=O)NCC(C)(C)CN

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9795486 0.82
SCHEMBL9795220 0.79
SCHEMBL9499958 0.78 KDM4E (0.38) KDM4ECYP2D6HSD17B10
SCHEMBL9497845 0.78 ALDH1A1 (0.36) KDM4E
SCHEMBL27837325 0.75 KDM4E (0.41) KDM4ECYP2D6HSD17B10
SCHEMBL9795415 0.75 KDM4E (0.35) KDM4ECYP2D6HSD17B10
SCHEMBL9795141 0.75 SMN1; SMN2 (0.31) HSD17B10
Oxalic Acid SCHEMBL9795145 0.74 KDM4E (0.38) KDM4ECYP2D6HSD17B10
SCHEMBL9501573 0.74 KDM4E (0.40) KDM4ECYP2D6HSD17B10
SCHEMBL10309174 0.72 SMN1; SMN2 (0.45) KDM4ECYP2D6LMNAHSD17B10

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed