SCHEMBL28398381

SCHEMBL28398381

COC(=O)c1ccc2c(c1)Cc1ccccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
TRPA1 O75762 4/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
ACSL1 P33121 1/20 0.47
KIF11 P52732 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5193695 0.91 ALOX5 (0.55) ALOX5TRPA1MAOAMAOBCA12
SCHEMBL30642086 0.91 ALOX5 (0.55) ALOX5TRPA1MAOAMAOBCA12
Acetic Acid Methyl Ester SCHEMBL28693641 0.86 SRD5A2 (0.50) ALOX5TRPA1MAOAMAOBACSL1
SCHEMBL11766557 0.85 TDP1 (0.50) ALOX5TRPA1CA12CA9KDM4E
SCHEMBL11347988 0.85 CA12 (0.50) ALOX5TRPA1CA12CA9KIF11
SCHEMBL31575365 0.85 MAPT (0.49) MAOAMAOBCA12CA9ACSL1
SCHEMBL10918675 0.84 TRPA1 (0.52) ALOX5TRPA1CA12CA9TSHR
SCHEMBL10845751 0.83 MAOA (0.55) MAOAMAOBACSL1KDM4ERAB9A
SCHEMBL27736976 0.83 MAOA (0.59) ALOX5MAOAMAOBACSL1ALDH1A1
SCHEMBL9262821 0.82 ALOX5 (0.55) ALOX5TRPA1CA12CA9KIF11

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-111057037-B Ultraviolet light-promoted synthesis method of xanthone compound 浙江工业大学 2021-07-23 CN disclosed
CN-111057037-A Ultraviolet light-promoted synthesis method of xanthone compound 浙江工业大学 2020-04-24 CN disclosed