SCHEMBL15965458

SCHEMBL15965458

CCOCCOCC(O)COCCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
LPAR5 Q9H1C0 1/20 0.40
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL9999939 0.91 HSD17B10 (0.42) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL8263940 0.91 HSD17B10 (0.42) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL15965447 0.91 HSD17B10 (0.48) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL6989580 0.91 HSD17B10 (0.42) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL7901287 0.89 HSD17B10 (0.44) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL27220429 0.86 HSD17B10 (0.42) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL31145340 0.84 HSD17B10 (0.43) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL25904007 0.83 HSD17B10 (0.34) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL10710700 0.83 ALDH1A1 (0.61) HSD17B10LPAR5USP2HTTALDH1A1
SCHEMBL9906569 0.82 HSD17B10 (0.44) HSD17B10LPAR5USP2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed