SCHEMBL13618820

SCHEMBL13618820

C=CC(O)OCCOCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 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
SCHEMBL11666618 0.89 MEN1 (0.36) HSD17B10MEN1KMT2ATSHRALDH1A1
SCHEMBL23694376 0.88 ALDH1A1 (0.41) HSD17B10THRBTSHRALDH1A1TP53
SCHEMBL16595147 0.87
SCHEMBL331862 0.87
SCHEMBL12231853 0.85 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL13880149 0.83 ALDH1A1 (0.30) HSD17B10TSHRALDH1A1TP53HIF1A
SCHEMBL18214435 0.83 MEN1 (0.50) HSD17B10MEN1THRBHTTKMT2A
SCHEMBL16259310 0.79 CA1 (0.39) HSD17B10MEN1KMT2ATSHRALDH1A1
SCHEMBL13434448 0.78
SCHEMBL29105631 0.78 HSD17B10 (0.52) HSD17B10TDP1MEN1HTTKMT2A

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
US-20090280249-A1 PROCESS AND APPARATUS FOR FLASH EVAPORATION FUJIFILM CORPORATION (JP) 2009-11-12 US disclosed