SCHEMBL29049644

SCHEMBL29049644

CCCCOCC(C)O.[Ta]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 2/20 0.50
SPHK1 Q9NYA1 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.46
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
MAPT P10636 1/20 0.42
LPAR5 Q9H1C0 4/20 0.42
CYP3A4 P08684 2/20 0.39

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
SCHEMBL15902723 0.98 HSD17B10 (0.73) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL17551898 0.98
SCHEMBL9319125 0.98
SCHEMBL15902 0.98
Hydrogen Sulfide SCHEMBL5381665 0.95 HSD17B10 (0.70) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL28229963 0.95 HSD17B10 (0.70) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL29282957 0.95 HSD17B10 (0.70) HSD17B10TDP1USP2SPHK1HTT
Isopropyl Alcohol SCHEMBL28393433 0.95 HSD17B10 (0.70) HSD17B10TDP1USP2SPHK1HTT
SCHEMBL232613 0.93 HSD17B10 (0.67) HSD17B10TDP1USP2SPHK1HTT
Ethylene SCHEMBL30306 0.93 HSD17B10 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116407666-A Liquid embolic agent and preparation method and application thereof 神泓医疗科技(上海)有限公司 2023-07-11 CN disclosed