SCHEMBL9729408

SCHEMBL9729408

CCCCCCN(CC#CC#N)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.41
DNM1 Q05193 3/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL9729154 0.92 KCNH2 (0.41) KCNH2
SCHEMBL17026408 0.83 KCNH2 (0.53) KCNH2DNM1
SCHEMBL20658202 0.83 KCNH2 (0.53) KCNH2DNM1
SCHEMBL5081835 0.79 ZDHHC20 (0.49) KCNH2DNM1ZDHHC20ZDHHC2
SCHEMBL4170086 0.79 ZDHHC20 (0.49) KCNH2DNM1ZDHHC20ZDHHC2
SCHEMBL16922398 0.73 KCNH2 (0.47) KCNH2DNM1
Water SCHEMBL27663616 0.73 DNM1 (0.52) KCNH2DNM1
SCHEMBL20658215 0.73 KCNH2 (0.50) KCNH2
Water SCHEMBL337260 0.72 DNM1 (0.58) KCNH2DNM1
Water SCHEMBL9628255 0.72 DNM1 (0.58) KCNH2DNM1

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-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed