SCHEMBL28514524

SCHEMBL28514524

CCC=CC(=O)CCc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.58
GPR52 Q9Y2T5 1/20 0.51
ESR1 P03372 4/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
SLC16A3 O15427 1/20 0.47
TTR P02766 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL20661175 1.00 TRPV1 (0.58) TRPV1GPR52ESR1CYP3A4KDM4E
Platyphyllenone SCHEMBL15013533 0.84 GPR52 (0.72) TRPV1GPR52ESR1CYP3A4KDM4E
Platyphyllenone SCHEMBL15379838 0.84 GPR52 (0.72) TRPV1GPR52ESR1CYP3A4KDM4E
SCHEMBL3341890 0.84 GPR52 (0.72) TRPV1GPR52ALDH1A1GAAMAPT
SCHEMBL3341887 0.84 GPR52 (0.72) TRPV1GPR52ALDH1A1GAAMAPT
SCHEMBL13311223 0.82 TRPV1 (0.73) TRPV1GPR52ESR1CYP3A4KDM4E
SCHEMBL15275172 0.81 HTR1A (0.51) TRPV1GPR52ESR1CYP3A4CYP1A2
SCHEMBL6373438 0.79 GPR52 (0.84) TRPV1GPR52CYP19A1ALOX5
SCHEMBL11938332 0.79 HTR1A (0.49) TRPV1GPR52CYP3A4CYP1A2CYP2D6
SCHEMBL12414343 0.77 LTA4H (0.75) TRPV1CYP3A4ALDH1A1CYP1A2CYP2D6

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-111973576-A Curcumin nano dispersion film and preparation method and application thereof 苏州泉硕纳米科技有限公司 2020-11-24 CN claimed
CN-111973576-A Curcumin nano dispersion film and preparation method and application thereof 苏州泉硕纳米科技有限公司 2020-11-24 CN disclosed