SCHEMBL28040136

SCHEMBL28040136

COc1ccc(/C=C/C(=O)OC2CC(C)CCC2C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP19A1 P11511 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 1/20 0.46
GLA P06280 1/20 0.46
IDE P14735 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL28040137 1.00 TRPM8 (0.51) TRPM8TRPV1ALDH1A1HPGDMAPT
SCHEMBL14877853 0.92 TRPV1 (0.49) TRPM8TRPV1ALDH1A1HPGDMAPT
SCHEMBL18585887 0.89 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL31290120 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL21331621 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL5447641 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL16616743 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL19020461 0.88 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1CYP19A1
SCHEMBL14877854 0.88 TRPV1 (0.48) TRPM8TRPV1ALDH1A1HPGDMAPT
SCHEMBL9063262 0.85 KDM4E (0.54) TRPV1ALDH1A1HPGDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108159198-A A kind of skin eczema external preparation and preparation method thereof 亳州市君臣佐使药业有限公司 2018-06-15 CN claimed
CN-108159198-A A kind of skin eczema external preparation and preparation method thereof 亳州市君臣佐使药业有限公司 2018-06-15 CN disclosed
CN-108159198-A A kind of skin eczema external preparation and preparation method thereof 亳州市君臣佐使药业有限公司 2018-06-15 CN disclosed
CN-105408301-B UV absorber with better UV protection effect and composition thereof 亳州市新健康科技有限公司 2018-02-23 CN disclosed
CN-107596355-A A kind of Medical pain easing, the exterior-applied gel subsided a swelling, brought down a fever and preparation method thereof 亳州市新健康科技有限公司 2018-01-19 CN disclosed
CN-107596355-A A kind of Medical pain easing, the exterior-applied gel subsided a swelling, brought down a fever and preparation method thereof 亳州市新健康科技有限公司 2018-01-19 CN disclosed
CN-105408301-A UV absorber with better UV protection effect and composition thereof BEIJING BEIWOLEJI BIOMEDICINE TECH LTD 2016-03-16 CN disclosed