SCHEMBL9851273

SCHEMBL9851273

CCCCCCSC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
BLM P54132 1/20 0.48
CES2 O00748 3/20 0.44
FAAH O00519 4/20 0.43
CES1 P23141 4/20 0.43
PLA2G6 O60733 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL9106803 1.00 HSD17B10 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL7756194 1.00 HSD17B10 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL13193199 1.00 HSD17B10 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL10433867 0.98 HSD17B10 (0.45) HSD17B10GMNNTP53POLBMAPT
SCHEMBL28351985 0.83 HSD17B10 (0.42) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4355453 0.83 HSD17B10 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4349341 0.83 HSD17B10 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL18944602 0.83 ALDH1A1 (0.54) HSD17B10TP53MAPTBLMFAAH
SCHEMBL8859455 0.83 CA2 (0.44) HSD17B10GMNNTP53POLBMAPT
SCHEMBL30200266 0.82 TDP1 (0.37) HSD17B10GMNNTP53POLBMAPT

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
EP-0405983-A2 Optically active substance and liquid crystal composition MITSUBISHI RAYON CO., LTD (JP) 1991-01-02 EP disclosed