SCHEMBL11071499

SCHEMBL11071499

CC=CC#CCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.53
PTPN7 P35236 5/20 0.41
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11071498 1.00 HMGCR (0.53) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL1866755 1.00 HMGCR (0.53) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL17027694 1.00 HMGCR (0.53) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL1866756 1.00 HMGCR (0.53) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5144648 0.85 HMGCR (0.50) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5144650 0.85 HMGCR (0.50) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL5167000 0.81 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL2118927 0.81 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4223273 0.81 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4224618 0.81 HMGCR (0.43) HMGCRPTPN7RECQLTDP1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed
US-4230878-A AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed