SCHEMBL9806448

SCHEMBL9806448

[CH2]CCCCCCNC(=S)S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL502740 1.00 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL11723408 1.00 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL468535 0.98
SCHEMBL11715929 0.95 HSD17B10 (0.46) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL9131234 0.90
SCHEMBL9019642 0.87 HSD17B10 (0.57) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL28417890 0.87 HSD17B10 (0.57) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL9198996 0.84 ALDH1A1 (0.60) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL27526716 0.79 HSD17B10 (0.60) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560478 0.78 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15

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-0421149-A1 Chloroprene polymer TOSOH CORPORATION (JP) 1991-04-10 EP disclosed