SCHEMBL28098351

SCHEMBL28098351

C=C(C)OC(=O)COCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAPK1 P28482 2/20 0.31
PKM P14618 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
SCHEMBL8672178 0.80 TDP1 (0.50) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL30366054 0.79 TDP1 (0.61) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL9504297 0.76 TDP1 (0.68) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL5518274 0.76 TDP1 (0.58) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL26724989 0.76 TDP1 (0.52) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL5078832 0.76 TDP1 (0.47) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL13327035 0.73 TDP1 (0.54) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL28341190 0.73 TDP1 (0.64) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL27470862 0.73 TDP1 (0.64) TDP1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL13327067 0.72 TDP1 (0.49) TDP1HSD17B10KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601837-A extended release fragrance composition 雅芳产品公司 2018-09-28 CN disclosed
CN-105939761-A Extended release fragrance compositions 雅芳产品公司 2016-09-14 CN disclosed