SCHEMBL9712455

SCHEMBL9712455

OCCOC/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
PAM P19021 1/20 0.46
ALOX5 P09917 2/20 0.43
SIGMAR1 Q99720 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL9492829 1.00 IDO1 (0.55) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL4456215 0.96 IDO1 (0.52) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL7768646 0.89 IDO1 (0.52) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL3438761 0.89 IDO1 (0.52) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL7768636 0.87 IDO1 (0.50) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL8734900 0.84 IDO1 (0.59) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL29154660 0.84 IDO1 (0.59) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL430935 0.83 IDO1 (0.68) IDO1PAMSIGMAR1HTR2AHTR2C
SCHEMBL7514298 0.83 IDO1 (0.68) IDO1PAMSIGMAR1HTR2AHTR2C
SCHEMBL430934 0.83 IDO1 (0.68) IDO1PAMSIGMAR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705549-A A kind of bamboo fibre environment-friendly materials and preparation method thereof 金华市秸和环保技术咨询有限公司 2019-05-03 CN claimed
CN-114081204-A Cinnamyl alcohol microcapsule and preparation method thereof, tobacco granules and preparation method thereof, filter stick or filter tip, tobacco product and application 福建中烟工业有限责任公司 2022-02-25 CN disclosed
CN-109705549-A A kind of bamboo fibre environment-friendly materials and preparation method thereof 金华市秸和环保技术咨询有限公司 2019-05-03 CN disclosed
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed