SCHEMBL8930268

SCHEMBL8930268

CCCOCC(C)O.COCC(C)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.86
TDP1 Q9NUW8 1/20 0.63
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.39
SPHK1 Q9NYA1 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
LPAR5 Q9H1C0 4/20 0.34
CASR P41180 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL7143930 0.93 HSD17B10 (0.73) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL9637969 0.93
SCHEMBL21356623 0.93 HSD17B10 (1.00) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL34792 0.93
SCHEMBL17164541 0.93
Propane SCHEMBL28092303 0.90 HSD17B10 (0.95) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL30725962 0.90
Isopropyl Alcohol SCHEMBL1060955 0.90 HSD17B10 (0.95) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL16351065 0.88 HSD17B10 (0.90) HSD17B10TDP1USP2HTTSPHK1
SCHEMBL11459409 0.88 HSD17B10 (0.90) HSD17B10TDP1USP2HTTSPHK1

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-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US disclosed