SCHEMBL28083160

SCHEMBL28083160

C=CC(=O)OCCC(CO)OC(=O)c1cccc(C)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ALDH1A1 P00352 6/20 0.33
TSHR P16473 5/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
UTS2R Q9UKP6 1/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL35054 0.84 THRB (0.45) THRBALDH1A1TSHRHSD17B10TP53
SCHEMBL28218278 0.80 THRB (0.43) THRBALDH1A1TSHRHSD17B10TP53
SCHEMBL27875025 0.80 TSHR (0.43) THRBALDH1A1TSHRHSD17B10HPGD
SCHEMBL28171929 0.76 THRA (0.43) THRBALDH1A1TSHRHSD17B10TP53
SCHEMBL27589207 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1AHPGDKDM4E
SCHEMBL308544 0.74 THRB (0.41) THRBALDH1A1TSHRHSD17B10TP53
SCHEMBL27924131 0.73 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10HIF1AHPGD
SCHEMBL25180908 0.73 THRB (0.43) THRBALDH1A1TSHRHSD17B10TP53
SCHEMBL4641100 0.73 PRKCA (0.44) ALDH1A1TSHRHSD17B10UTS2RHPGD
SCHEMBL28522445 0.71 ALDH1A1 (0.57) THRBALDH1A1TSHRHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402975-B beta-hydroxyalkylamide and resin composition 东洋油墨SC控股株式会社 2016-08-17 CN disclosed