SCHEMBL9729340

SCHEMBL9729340

CCCCCCCCCCCCC#CC#N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.50
PTPN7 P35236 4/20 0.50
TSHR P16473 2/20 0.42
SELP P16109 1/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9729391 1.00 HMGCR (0.50) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL9728814 1.00 HMGCR (0.50) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL7934642 1.00 HMGCR (0.50) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL9729164 1.00 HMGCR (0.50) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL9729185 1.00 HMGCR (0.50) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL1344541 0.97
SCHEMBL5184571 0.84 HMGCR (0.64) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL9744103 0.84 HMGCR (0.64) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL5973569 0.84 HMGCR (0.64) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL2555532 0.84 HMGCR (0.64) HMGCRPTPN7TSHRSELPTHRB

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