SCHEMBL13670743

SCHEMBL13670743

CC(O)COCCCCOC(C)CO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.44
SPHK1 Q9NYA1 1/20 0.36
HTT P42858 1/20 0.35
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
MAPK1 P28482 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL809624 0.88 HSD17B10 (0.52) HSD17B10TDP1USP2MAPK1
SCHEMBL28049174 0.86 TDP1 (0.54) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL27021062 0.84 TDP1 (0.50) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL29004784 0.84 HSD17B10 (0.50) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL28360575 0.83 TDP1 (0.59) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL15264553 0.82 TSHR (0.37) TDP1USP2
SCHEMBL10887831 0.82 HSD17B10 (0.67) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL7816447 0.81 TDP1 (0.57) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL3063766 0.81 TDP1 (0.47) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL28417594 0.80 TDP1 (0.61) HSD17B10TDP1USP2SPHK1HTT

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
US-8802740-B2 Environmentally friendly demulsifiers for crude oil emulsions NALCO ENERGY SERVICES L.P (US) 2014-08-12 US disclosed
US-20090259004-A1 ENVIRONMENTALLY FRIENDLY DEMULSIFIERS FOR CRUDE OIL EMULSIONS CHAMPIONX LLC 2009-10-15 US disclosed
US-7566744-B2 Environmentally friendly demulsifiers for crude oil emulsions NALCO COMPANY (US) 2009-07-28 US disclosed