SCHEMBL7423618

SCHEMBL7423618

CCCC/C(=C/C(=O)OC(=O)/C=C(/CCCC)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PPARG P37231 7/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
GPR84 Q9NQS5 4/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 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
SCHEMBL1581717 0.86 CES2 (0.43) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL554213 0.81 TSHR (0.48) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL147034 0.81 TSHR (0.48) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL147035 0.81 TSHR (0.48) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL28167345 0.80 HCAR2 (0.56) APEX1ALDH1A1ATMHCAR2TSHR
Butane SCHEMBL6913001 0.79 TSHR (0.46) APEX1CES2CES1ALDH1A1PPARG
Water SCHEMBL28135417 0.79 TSHR (0.46) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL5679896 0.78 ALDH1A1 (0.47) APEX1CES2CES1ALDH1A1PPARG
SCHEMBL10756990 0.78 ATM (0.41) APEX1ALDH1A1PPARGPTGESALOX5
SCHEMBL10433278 0.78 CES1 (0.41) APEX1CES2CES1ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717431-A1 GLASS ARTICLES WITH LOW-FRICTION COATINGS AND METHODS FOR COATING GLASS ARTICLES Corning Incorporated (US) 2020-10-07 EP disclosed
CN-109321024-A A kind of cured photocuring heat cure Insulation primer composition of suitable LED and its preparation 上海乘鹰新材料有限公司 2019-02-12 CN disclosed
CN-105566511-B Electric charge overturns pulullan polysaccharide derivative and its preparation method and use 天津医科大学 2017-11-03 CN disclosed
EP-0196096-A2 Imide derivatives, their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-10-01 EP disclosed
EP-0026366-A1 Silylated polyethers, processes for preparing the same, compositions for treating textile materials and the coated textile materials thus treated SWS Silicones Corporation (US) 1981-04-08 EP disclosed