SCHEMBL66944

SCHEMBL66944

CC(C)C(C(=O)O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.73
KMT2A Q03164 2/20 0.54
SRC P12931 1/20 0.52
LMNA P02545 3/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MAPK1 P28482 1/20 0.50
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL193565 1.00 CYP2D6 (0.73) CYP2D6KMT2ASRCLMNAAKR1C3
SCHEMBL5158960 1.00 CYP2D6 (0.73) CYP2D6KMT2ASRCLMNAAKR1C3
Hydrochloric Acid SCHEMBL10872012 0.98 CYP2D6 (0.70) CYP2D6KMT2ASRCLMNAAKR1C3
Hydrochloric Acid SCHEMBL10582883 0.98 CYP2D6 (0.70) CYP2D6KMT2ASRCLMNAAKR1C3
SCHEMBL5520004 0.87 PTGS2 (0.66) CYP2D6AKR1C3AKR1C2PTGS2
SCHEMBL28285858 0.86 CYP2D6 (0.58) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL7824857 0.85 CYP2D6 (1.00) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL659768 0.85 CYP2D6 (1.00) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL7815004 0.85 CYP2D6 (1.00) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL11315838 0.85 CYP2D6 (1.00) CYP2D6KMT2ASRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106219911-A The processing system of a kind of rolling effluent and processing method thereof 山东钢铁股份有限公司 2016-12-14 CN claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
CN-100594769-C Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC 2010-03-24 CN claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1360270-B1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING BLOOMING PERFUME AND BASE MASKING INGREDIENTS PROCTER & GAMBLE (US) 2007-05-16 EP claimed
CN-1719970-A Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC (US) 2006-01-11 CN claimed
EP-1360269-B1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING DIACYL PEROXIDE BLEACH AND BLOOMING PERFUME PROCTER & GAMBLE (US) 2005-08-03 EP claimed
US-6194362-B1 Glass cleaning compositions containing blooming perfume THE PROCTER & GAMBLE COMPANY 2001-02-27 US claimed
US-6143707-A CLEANING AND STAIN REMOVAL AND PROVIDE A POSITIVE SCENT; FOR WASHING KITCHENWARE THE PROCTER & GAMBLE COMPANY (US) 2000-11-07 US claimed
US-6001789-A BLOCK DETERGENT COMPRISING MOISTURE ACTIVATED ENCAPSULATED PERFUME PARTICLES, SURFACTANT, DETERGENT BUILDER AND SYSTEM FOR PROVIDING CONCENTRATION OF CLEANING COMPOUND TO TOILET WATER THE PROCTER & GAMBLE COMPANY (US) 1999-12-14 US claimed
US-4564632-A Insecticidal and acaricidal agents and their use BAYER AKTIENGESELLSCHAFT (DE) 1986-01-14 US claimed
US-4526727-A Treating racemic R,S-alpha isopropylphenylacetic acid with an S-alpha cyano-3-phenoxybenzyl alcohol SHELL OIL COMPANY (US) 1985-07-02 US claimed
EP-0007421-B1 ALPHA-ISOPROPYL-PHENYLACETIC ACID ESTERS, THEIR PREPARATION AND USE AS PESTICIDES CIBA-GEIGY AG (CH) 1981-04-29 EP claimed
JP-59130847-A None JP disclosed
JP-60081105-A None JP disclosed
JP-55118439-A None JP disclosed
EP-0009637-A1 Alpha-phenyl-alpha-isopropyl acetates, process for their preparation, pesticides containing them and the use of these acetates in the control of pests CIBA-GEIGY AG (CH) 1980-04-16 EP disclosed
EP-0009637-A1 Alpha-phenyl-alpha-isopropyl acetates, process for their preparation, pesticides containing them and the use of these acetates in the control of pests CIBA-GEIGY AG (CH) 1980-04-16 EP disclosed
US-3968124-A Process for preparing phenyl-acetic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-06 US disclosed
JP-S0681105-A 0001-01-01 JP disclosed