SCHEMBL9744765

SCHEMBL9744765

CCCCCCCCc1cc(Sc2cc(CCCCCCCC)c(O)cc2C)c(C)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
TYR P14679 3/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
PTGS2 P35354 5/20 0.41
KDM4E B2RXH2 1/20 0.40
NOD2 Q9HC29 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39

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
SCHEMBL2484244 1.00 ALOX5 (0.51) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL9746117 1.00 ALOX5 (0.51) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL2479859 1.00 ALOX5 (0.51) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL31121127 0.93 TYR (0.49) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL2482286 0.93 TYR (0.49) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL9744216 0.86 ALOX5 (0.54) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL9744665 0.86 ALOX5 (0.54) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL2480931 0.86 TP53 (0.47) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL14303453 0.86 MAPK1 (0.42) ALOX5TYRTP53CYP3A4ALOX15
SCHEMBL7264486 0.84 TP53 (0.57) ALOX5TYRTP53CYP3A4ALOX15

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