SCHEMBL8089277

SCHEMBL8089277

CC(C)(C)c1cc(C(=O)c2ccco2)cc2c1SCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.58
PTGS2 P35354 11/20 0.58
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RECQL P46063 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX5 P09917 6/20 0.45
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIM1 P11309 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 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
SCHEMBL8092902 0.80 PTGS2 (0.70) PTGS1PTGS2ALOX5
SCHEMBL11067689 0.76 KMT2A (0.64) PTGS1PTGS2MEN1KMT2ARECQL
SCHEMBL8349771 0.74 PTGS1 (0.45) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL8759810 0.73 PTGS2 (1.00) PTGS1PTGS2ALOX5
SCHEMBL8759670 0.71 PTGS2 (0.86) PTGS1PTGS2THRBALOX5
SCHEMBL10428438 0.71 MEN1 (0.56) MEN1KMT2ARECQLALDH1A1POLB
SCHEMBL8759729 0.69 PTGS2 (0.73) PTGS1PTGS2ALOX5
SCHEMBL15354269 0.68 ALDH1A1 (1.00) MEN1KMT2ARECQLALDH1A1POLB
SCHEMBL6672311 0.67 PTGS1 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6642062 0.67 PTGS1 (0.53) PTGS1PTGS2ALOX5

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-6107311-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
US-5750543-A ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-05-12 US disclosed