SCHEMBL8999212

SCHEMBL8999212

CCCCCCS/C=C(\C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CES2 O00748 1/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
EP300 Q09472 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 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
SCHEMBL6405359 0.98 THRB (0.42) THRBHSD17B10CES2GMNNTP53
SCHEMBL292697 0.77 THRB (0.39) THRBHSD17B10CES2GMNNTP53
SCHEMBL11144040 0.77 CES2 (0.43) THRBHSD17B10CES2GMNNTP53
SCHEMBL28576709 0.77 HSD17B10 (0.41) THRBHSD17B10CES2GMNNTP53
Decane SCHEMBL27701501 0.74 EP300 (0.50) THRBHSD17B10EP300FNTAFNTB
SCHEMBL21828707 0.74
Dodecane SCHEMBL27898176 0.74 EP300 (0.50) THRBHSD17B10EP300FNTAFNTB
Pentadecane SCHEMBL27682452 0.74 EP300 (0.50) THRBHSD17B10EP300FNTAFNTB
Tetradecane SCHEMBL28022047 0.74 EP300 (0.50) THRBHSD17B10EP300FNTAFNTB
SCHEMBL8973645 0.74 TSHR (0.44) HSD17B10MAPTPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592933-B1 Method for the preparation of thiol(meth)acrylates ROEHM GMBH (DE) 1996-09-04 EP disclosed
EP-0592933-A1 Method for the preparation of thiol(meth)acrylates RÖHM GMBH (DE) 1994-04-20 EP disclosed