SCHEMBL9744224

SCHEMBL9744224

CCCCCCCCCCCCCCCCCCc1cc(Sc2cc(CCCCCCCCCCCCCCCCCC)c(O)c(CCCCCCCCCCCCCCCCCC)c2)cc(CCCCCCCCCCCCCCCCCC)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
ALOX5 P09917 6/20 0.51
CYP3A4 P08684 3/20 0.49
TYR P14679 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LIPG Q9Y5X9 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41

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
SCHEMBL10892002 0.95 ALOX5 (0.47) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10933792 0.92 TYR (0.46) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL9745295 0.90 ALOX5 (0.46) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10894181 0.90 ALOX5 (0.46) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10894467 0.90 ALOX5 (0.46) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10894779 0.85 PTGS2 (0.43) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10894690 0.85 PTGS2 (0.43) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL10899469 0.85 PTGS2 (0.43) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL2183157 0.84 ALOX5 (0.47) PTGS2ALOX5CYP3A4TYRTP53
SCHEMBL2185315 0.84 ALOX5 (0.47) PTGS2ALOX5CYP3A4TYRTP53

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