SCHEMBL9744665

SCHEMBL9744665

CCCCCCCCCCCCc1cc(Sc2cc(CCCCCCCCCCCC)c(O)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.54
TYR P14679 3/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44

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
SCHEMBL9744216 1.00 ALOX5 (0.54) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL4128177 0.98 TYR (0.51) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL9744700 0.95 TYR (0.49) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL8589296 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2348704 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL7516859 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL4879945 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL8942889 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2344847 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL325823 0.87 ALOX5 (0.68) ALOX5TYRMEN1TP53CYP3A4

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
EP-0270711-B1 IMPROVED METHOD FOR ROSIN ESTERIFICATION WESTVACO CORPORATION (US) 1992-04-22 EP disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed