SCHEMBL5548786

SCHEMBL5548786

CCc1ccc(C(C)(C)OO)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 1/20 0.56
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PLK1 P53350 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
TP53 P04637 1/20 0.37
KIF11 P52732 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PLAU P00749 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2A6 P11509 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL5943678 0.83 ALDH1A1 (0.75) ALDH1A1ALOX15TDP1SMN1; SMN2HPGD
SCHEMBL28329681 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15KIF11
SCHEMBL9342695 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15MEN1KMT2AESR1
SCHEMBL9342853 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15MEN1KMT2AESR1
SCHEMBL9342729 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15MEN1KMT2AESR1
SCHEMBL17320466 0.80 RORC (0.43) ALDH1A1LPLLIPGPLK1TDP1
SCHEMBL8578305 0.79 ALDH1A1 (0.62) ALDH1A1ALOX15TDP1HPGDMEN1
SCHEMBL9246676 0.79 ESR1 (0.39) ALDH1A1LPLLIPGPLK1TDP1
SCHEMBL23109754 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15ESR1TP53
SCHEMBL9875215 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15MEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494984-B1 PROCESS FOR PREPARING PHENOLS INEOS PHENOL GMBH & CO KG (DE) 2007-09-12 EP disclosed
US-6875898-B2 Process for preparing phenols INEOS PHENOL GMBH & CO. KG (DE) 2005-04-05 US disclosed
EP-1494984-A1 PROCESS FOR PREPARING PHENOLS INEOS Phenol GmbH & Co. KG (DE) 2005-01-12 EP disclosed
US-20030220528-A1 Process for preparing phenols BARCLAYS BANK PLC (IN ITS CAPACITY AS SECURITY TRUSTEE FOR ITSELF AND OTHER SECURED PARTIES) (GB) 2003-11-27 US disclosed
WO-2003084909-A1 PROCESS FOR PREPARING PHENOLS INEOS PHENOL GMBH & CO. KG (DE) 2003-10-16 WO disclosed
EP-1350782-A1 Process for the recovery of phenol from alkylaryl hydroperoxide decomposition products INEOS Phenol GmbH & Co. KG (DE) 2003-10-08 EP disclosed
EP-1199295-B1 Process for the cleavage of alkylaryl hydroperoxides INEOS PHENOL GMBH & CO KG (DE) 2003-09-17 EP disclosed
US-6444861-B1 Process for the cleavage of alkylaryl hydroperoxides PHENOLCHEMIE GMBH & CO. KG (DE) 2002-09-03 US disclosed
EP-1199295-A1 Process for the cleavage of alkylaryl hydroperoxides INEOS Phenol GmbH & Co. KG (DE) 2002-04-24 EP disclosed
US-20020045781-A1 Process for the cleavage of alkylaryl hydroperoxides PHENOLCHEMIE GMBH & CO. KG (DE) 2002-04-18 US disclosed
EP-0032255-B1 PROCESS FOR THE DIRECT NEUTRALISATION OF A REACTION MIXTURE RESULTING FROM THE ACID CLEAVAGE OF AN ALPHA-HYDROXY DERIVATIVE OF AN ALKYL-SUBSTITUTED AROMATIC HYDROCARBON AND THE REMOVAL OF THE FORMED SALT UOP INC. (US) 1984-03-14 EP disclosed
US-4333801-A Recovery of a cumene/alpha-methylstyrene fraction from a mixture thereof with phenol and water UOP INC. (US) 1982-06-08 US disclosed
EP-0032255-A1 Process for the direct neutralisation of a reaction mixture resulting from the acid cleavage of an alpha-hydroxy derivative of an alkyl-substituted aromatic hydrocarbon and the removal of the formed salt UOP INC. (US) 1981-07-22 EP disclosed
US-4262151-A Process for the recovery of phenol from a reaction mixture resulting from the acid cleavage of cumene hydroperoxide UOP INC. (US) 1981-04-14 US disclosed