SCHEMBL3128240

SCHEMBL3128240

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CES1 P23141 1/20 0.44
CYP2C19 P33261 3/20 0.44
KCNN4 O15554 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL1395205 0.86 CES1 (0.53) MAPTKMT2ACYP1A2CYP2D6CES1
SCHEMBL22722985 0.81 KCNN4 (0.50) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL5046100 0.81 KCNN4 (0.50) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL2517938 0.81 KCNN4 (0.50) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL891406 0.81 ALDH1A1 (0.56) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL8462212 0.79 TDP1 (0.50) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL10815485 0.78 CYP1A2 (0.46) MAPTKMT2ACYP1A2CYP2D6CES1
SCHEMBL420635 0.78 KCNN4 (0.47) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL5322361 0.78 CYP2C19 (0.47) MAPTKMT2ACYP1A2CYP2D6PPARG
SCHEMBL5691818 0.78 PPARG (0.61) MAPTKMT2ACYP1A2CYP2D6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
EP-0723548-B1 PHOSPHORESCENT COMPOUNDS FOR IMAGING TISSUE OXYGEN OXYGEN ENTPR LTD (US) 2010-01-13 EP claimed
CN-1975571-B Resist pattern thickening material and process for forming resist pattern, and semiconductor device and method for manufacturing the same FUJITSU LTD 2011-04-06 CN disclosed
CN-1509334-B Transformant producing PF1022 substance derivatives, process for producing same and novel/biosynthesis gene MEIJI SEIKA KAISHA 2010-04-28 CN disclosed
CN-1975571-A Resist pattern thickening material and process for forming resist pattern, and semiconductor device and method for manufacturing the same FUJITSU LTD (JP) 2007-06-06 CN disclosed
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 US disclosed
CN-1509334-A Transformant producing PF1022 substance derivatives, process for producing same and novel/biosynthesis gene �����Ƹ���ʽ���� 2004-06-30 CN disclosed
US-6444470-B1 GENETICALLY TRANSFORMING ZEA MAYS PLANTS, METHODS INVOLVE ADMINISTERING AN EFFECTIVE AMOUNT OF A TRANSFORMATION-ENHANCING AGENT TO A ZEA MAYS PLANT PIONEER HI-BRED INTERNATIONAL, INC. 2002-09-03 US disclosed
US-4927952-A CARBOXYLIC, AMINO, HYDROXY FUNCTIONALITIES EXSYMOL S.A.M. (MC) 1990-05-22 US disclosed