SCHEMBL5545787

SCHEMBL5545787

CC(OO)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.50
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNN4 O15554 4/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
Cumene Hydroperoxide SCHEMBL15251 0.79 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1ESR1ESR2
Cumene Hydroperoxide SCHEMBL374888 0.79 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1ESR1ESR2
Cumene Hydroperoxide SCHEMBL28089490 0.79 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL9576890 0.78 MAPK1 (0.62) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL7129049 0.78 MAPK1 (0.55) ALDH1A1ALOX15MAPK1ESR1ESR2
Cumene Hydroperoxide SCHEMBL28202027 0.77 ALDH1A1 (0.95) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL664301 0.76 MAPK1 (0.52) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL11244956 0.75 CYP2C19 (0.54) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL11385768 0.75 CYP2C19 (0.54) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL11575241 0.75 ALDH1A1 (0.60) ALDH1A1ALOX15MAPK1ESR1ESR2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067406-C Process for shortstopping emulsion polymerizations which does not generate nitrosamines ENICHEM ELASTOMERI S RL (IT) 2001-06-20 CN claimed
EP-0656371-B1 Process for shortstopping emulsion polymerizations which does not generate nitrosamines ENICHEM ELASTOMERS (IT) 1997-04-23 EP claimed
EP-0437293-B1 Process for shortstopping an emulsion polymerization SHELL INT RESEARCH (NL) 1996-07-03 EP claimed
US-5504168-A USING ISOPROPYLHYDROXLAMINE ACETATE AND SODIUM POLYSULFIDE ENICHEM ELASTOMERI S.R.L. (IT) 1996-04-02 US claimed
CN-1110971-A Process for shortstopping emulsion polymerizations which does not generate nitrosamines ENICHEM ELASTOMERS (IT) 1995-11-01 CN claimed
EP-0656371-A2 Process for shortstopping emulsion polymerizations which does not generate nitrosamines ENICHEM ELASTOMERI S.r.l. (IT) 1995-06-07 EP claimed
US-5177164-A Shortstopping a free radical polymerization of a conjugated diene and optionally a vinyl-substituted aromatic SHELL OIL COMPANY (US) 1993-01-05 US claimed
EP-0437293-A2 Process for shortstopping an emulsion polymerization SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-17 EP claimed
US-20160081885-A1 POLYMERIZABLE DENTAL MATERIAL MUHLBAUER TECHNOLOGY GMBH (DE) 2016-03-24 US disclosed
EP-1494984-B1 PROCESS FOR PREPARING PHENOLS INEOS PHENOL GMBH & CO KG (DE) 2007-09-12 EP disclosed
WO-2007000329-A2 EPOXIDATION OF ALPHA, BETA-UNSATURATED KETONES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-04 WO disclosed
US-6875898-B2 Process for preparing phenols INEOS PHENOL GMBH & CO. KG (DE) 2005-04-05 US disclosed
EP-1366006-A1 PROCESS FOR PREPARING PHENOLS INEOS Phenol GmbH & Co. KG (DE) 2003-12-03 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
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
US-3948981-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-04-06 US disclosed
US-3933891-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3931284-A 11β-PGE2 compounds THE UPJOHN COMPANY (US) 1976-01-06 US disclosed