SCHEMBL10696013

SCHEMBL10696013

COc1ccc(CCN(C)CCCC2Cc3cc(OC)c(OC)cc3C2=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
ACHE P22303 4/20 0.56
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
ABCB1 P08183 1/20 0.53
MAPT P10636 1/20 0.52
HCN4 Q9Y3Q4 1/20 0.52
ALOX15 P16050 1/20 0.51
SMPD1 P17405 1/20 0.50

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
Hydrochloric Acid SCHEMBL10426964 0.89 ACHE (0.54) ACHE
SCHEMBL10427028 0.89 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6ACHEBLM
Hydrochloric Acid SCHEMBL10427196 0.89 ACHE (0.54) ACHE
SCHEMBL10695000 0.84 CDK8 (0.55) CYP3A4CYP1A2CYP2D6ACHE
SCHEMBL6632239 0.84 ACHE (0.50) ACHE
Hydrochloric Acid SCHEMBL4861583 0.83 ACHE (0.49) ACHE
Hydrochloric Acid SCHEMBL10427943 0.83 ACHE (0.48) ACHE
SCHEMBL10696001 0.83 ACHE (0.51) ACHE
SCHEMBL13987568 0.81 ACHE (0.55) ACHE
SCHEMBL13987570 0.81 ACHE (0.49) ACHE

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-0259782-A1 Naphthalene and indane derivatives, medicaments containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 EP disclosed