SCHEMBL8766229

SCHEMBL8766229

CC(C)(Cl)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2R P25116 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 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
SCHEMBL9154003 0.87 ALOX5 (0.54) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9158216 0.85 LMNA (0.51) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9156253 0.82 ALOX5 (0.53) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9156265 0.82 ALOX5 (0.53) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL10414409 0.81 ALOX5 (0.55) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL1928189 0.79 LMNA (0.61) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9153202 0.79 ALOX5 (0.50) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9156294 0.79 LMNA (0.53) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7700940 0.78 ALOX5 (0.60) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL10786189 0.78 ALOX5 (0.55) ALOX5PTGS1PTGS2LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787130-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
WO-1996012710-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
US-5510361-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1996-04-23 US disclosed
US-5476876-A Analgesics THE PROCTER & GAMBLE COMPANY (US) 1995-12-19 US disclosed