SCHEMBL28865610

SCHEMBL28865610

C=C(C)OC(C)=O.CCC(C)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL1866475 0.82 TSHR (0.43) HSD17B10TSHRLMNAALDH1A1
SCHEMBL17617132 0.82 TSHR (0.43) HSD17B10TSHRLMNAALDH1A1
SCHEMBL580557 0.82 TSHR (0.43) HSD17B10TSHRLMNAALDH1A1
SCHEMBL13541326 0.82 TSHR (0.43) HSD17B10TSHRLMNAALDH1A1
SCHEMBL28886285 0.81 HSD17B10 (0.44) HSD17B10TDP1TSHRLMNAALDH1A1
SCHEMBL962928 0.76 ALDH1A1 (0.43) HSD17B10TDP1TSHRLMNAALDH1A1
SCHEMBL26480010 0.75 TSHR (0.37) TSHRLMNA
SCHEMBL24573 0.71
SCHEMBL28079040 0.71 TDP1 (1.00) HSD17B10TDP1TSHRLMNAALDH1A1
SCHEMBL17866508 0.70 TSHR (0.31) HSD17B10TSHRALDH1A1

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-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed