SCHEMBL5833247

SCHEMBL5833247

COc1cc(CNCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
FOS P01100 1/20 0.61
TTR P02766 1/20 0.61
JUN P05412 1/20 0.61
NR3C1 P04150 1/20 0.61
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
ALDH1A1 P00352 3/20 0.59
ALOX5 P09917 2/20 0.59
GAA P10253 2/20 0.59
CYP3A4 P08684 2/20 0.59
NFKB1 P19838 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTPN1 P18031 1/20 0.59
AR P10275 1/20 0.59
PTGS1 P23219 1/20 0.59

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
SCHEMBL9416518 0.93 TSHR (0.58) TAAR1TSHRMAPK1FOSTTR
SCHEMBL7768865 0.93 FOS (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL11069853 0.92 GAA (0.67) TAAR1TSHRMAPK1ALDH1A1GAA
SCHEMBL11856806 0.91 TAAR1 (0.57) TAAR1TSHRMAPK1FOSTTR
Hydrochloric Acid SCHEMBL16799320 0.90 TAAR1 (0.58) TAAR1TSHRMAPK1FOSTTR
SCHEMBL11969383 0.89 TAAR1 (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL11856117 0.88 FOS (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL19326714 0.88 KDM4E (0.63) TAAR1TSHRMAPK1FOSTTR
SCHEMBL4612057 0.87 TAAR1 (0.61) TAAR1TSHRMAPK1FOSTTR
SCHEMBL7739503 0.87 TAAR1 (0.61) TAAR1TSHRMAPK1FOSTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608247-B Preparation method of capsaicin and capsaicin prepared by using same 遂宁晶安科技有限公司 2023-04-07 CN disclosed
CN-110305031-B Preparation method of capsaicin and capsaicin prepared by using same 遂宁晶安科技有限公司 2022-07-12 CN disclosed
CN-112608247-A Preparation method of capsaicin and capsaicin prepared by using same 遂宁晶安科技有限公司 2021-04-06 CN disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed