SCHEMBL7556833

SCHEMBL7556833

CC/C=C(\CCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 1/20 0.47
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
APEX1 P27695 1/20 0.42
EP300 Q09472 1/20 0.42
ALDH1A1 P00352 3/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
GPR84 Q9NQS5 6/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL285080 1.00 GRIK1 (0.47) GRIK1GRIK2CES1CES2APEX1
SCHEMBL4433665 1.00 GRIK1 (0.47) GRIK1GRIK2CES1CES2APEX1
SCHEMBL4688050 0.93 AKR1B1 (0.50) GRIK1GRIK2CES1CES2EP300
SCHEMBL112345 0.93 AKR1B1 (0.50) GRIK1GRIK2CES1CES2EP300
SCHEMBL112344 0.93 AKR1B1 (0.50) GRIK1GRIK2CES1CES2EP300
SCHEMBL1864621 0.91 GPR84 (0.52) CES1CES2APEX1EP300ALDH1A1
SCHEMBL5077544 0.91 GPR84 (0.52) CES1CES2APEX1EP300ALDH1A1
SCHEMBL30900564 0.91 GPR84 (0.52) CES1CES2APEX1EP300ALDH1A1
SCHEMBL29132849 0.91 GPR84 (0.52) CES1CES2APEX1EP300ALDH1A1
SCHEMBL30595585 0.91 GPR84 (0.52) CES1CES2APEX1EP300ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088955-B1 RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-06-03 EP claimed
EP-3032333-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-05-24 EP claimed
EP-3032332-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-04-05 EP claimed
EP-1448757-B2 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS PROCTER & GAMBLE (US) 2015-04-08 EP claimed
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP claimed
EP-1448757-B1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS PROCTER & GAMBLE (US) 2012-05-30 EP claimed
EP-2261226-A1 Compounds and methods for inhibiting mitotic progression by inhibition of aurora kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-15 EP disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed