SCHEMBL28298050

SCHEMBL28298050

COc1cc(COC(N)=O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
NFKB1 P19838 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TAAR1 Q96RJ0 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
PTPN1 P18031 2/20 0.55
ALOX5 P09917 2/20 0.55
OR51E2 Q9H255 1/20 0.55
FOS P01100 1/20 0.53
TTR P02766 1/20 0.53
JUN P05412 1/20 0.53
NR3C1 P04150 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
CYP3A4 P08684 2/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL28624213 0.88 ALDH1A1 (0.56) ALDH1A1GAALMNA
SCHEMBL20440722 0.87 TSHR (0.63) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL31694578 0.87 TSHR (0.63) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30122259 0.85 TSHR (0.61) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL12311379 0.85 TSHR (0.66) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL357115 0.85 TSHR (0.61) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL29261457 0.84 TAAR1 (0.59) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL28224424 0.84 TSHR (0.59) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30122323 0.84 TSHR (0.59) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL3118302 0.83 TSHR (0.58) TSHRALDH1A1GAANFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790513-A The method that microorganism for specific natural capsaicine generates 科纳根公司 2019-05-21 CN claimed
CN-110035740-A STABLE AQUEOUS CAPSAICIN INJECTABLE FORMULATIONS AND MEDICAL USES THEREOF 中枢疗法公司 2019-07-19 CN disclosed
CN-109790513-A The method that microorganism for specific natural capsaicine generates 科纳根公司 2019-05-21 CN disclosed