SCHEMBL9250858

SCHEMBL9250858

C=C(CSCCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.46
CYP2C19 P33261 1/20 0.39
BHMT Q93088 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8079448 0.79 TDP1 (0.41) HSD17B10LMNATDP1TSHRMAPT
SCHEMBL7900335 0.78 CYP2D6 (0.63) HSD17B10LMNAKMT2ATDP1CYP2C19
Danosteine SCHEMBL1578704 0.78 HSD17B10 (0.72) HSD17B10LMNAKMT2ATDP1TSHR
SCHEMBL12084188 0.78 LMNA (0.72) HSD17B10LMNAKMT2ATDP1TSHR
SCHEMBL28562735 0.77 LMNA (0.56) HSD17B10LMNAKMT2ATDP1TSHR
SCHEMBL11123745 0.75 HSD17B10 (0.52) HSD17B10LMNAKMT2ATDP1TSHR
Danosteine SCHEMBL11664539 0.75 HSD17B10 (0.68) HSD17B10LMNAKMT2ATDP1TSHR
E388 SCHEMBL28962323 0.74 LMNA (1.00) HSD17B10LMNAKMT2ATDP1TSHR
E388 SCHEMBL28696 0.74 LMNA (1.00) HSD17B10LMNAKMT2ATDP1TSHR
SCHEMBL6025408 0.74 THRB (0.53) HSD17B10TSHRMAPTALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675885-A4 1995-10-25 EP disclosed
EP-0675885-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-10-11 EP disclosed
WO-1994014792-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-07-07 WO disclosed