SCHEMBL301480

SCHEMBL301480

CCCCCCCCCCCCc1cc(C)c(O)c(CCCCCCCCCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
CYP3A4 P08684 3/20 0.53
ALOX5 P09917 5/20 0.49
TYR P14679 2/20 0.49
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL1021953 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL11804554 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL15488771 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL1021220 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL1021984 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL28062012 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL225637 1.00 PTGS2 (0.56) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL8582597 0.98 PTGS2 (0.55) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL1023726 0.98 PTGS2 (0.55) PTGS2CYP3A4ALOX5TYRESR1
SCHEMBL1023163 0.98 PTGS2 (0.55) PTGS2CYP3A4ALOX5TYRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735412-B1 KETONE DIARYLAMINE CONDENSATES CHEMTURA CORP (US) 2012-03-14 EP claimed
EP-1883674-B1 STABILIZER BLEND FOR IMPROVED CHLORINE RESISTANCE CHEMTURA CORP (US) 2011-08-03 EP claimed
EP-1325069-B1 THERMOPLASTIC RESINS STABILIZED BY BLENDS OF STERICALLY HINDERED PHENOLS,SECONDARY AMINES, AND LACTONES UNIROYAL CHEM CO INC (US) 2006-02-22 EP claimed
EP-1129133-B1 THERMOPLASTIC RESINS STABILIZED BY BLENDS OF STERICALLY HINDERED PHENOLS, SECONDARY AMINES, AND THIOETHERS UNIROYAL CHEM CO INC (US) 2004-04-07 EP claimed
EP-0274200-B1 Polyolefins stabilized against oxidative degradation with mixtures of aralkyl-substituted diarylamines and sterically hindered phosphites UNIROYAL CHEM CO INC (US) 1994-02-02 EP claimed