SCHEMBL29871062

SCHEMBL29871062

COc1cc2c(c(O)c1OC)C(=O)c1ccc(C)c(O)c1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.66
▸ ELANE P08246 5/20 0.63
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CTSG P08311 1/20 0.47
▸ PIM1 P11309 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MGAM O43451 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42
▸ SOS1 Q07889 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 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
SCHEMBL16227224 0.90 EPHX2 (0.65) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL26136410 0.87 ELANE (0.57) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL28872297 0.83 EPHX2 (0.63) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL23198991 0.82 EPHX2 (0.65) EPHX2NPC1RAB9AMAPTMEN1
SCHEMBL27927334 0.81 EPHX2 (0.86) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL29396060 0.79 EPHX2 (1.00) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL31322006 0.79 EPHX2 (1.00) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL16226754 0.79 EPHX2 (1.00) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL16226004 0.78 ELANE (0.61) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL31441199 0.78 EPHX2 (0.64) EPHX2ELANENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940645-A Method for extracting carambola root benzoquinone chemical component crude extract 星荣口腔护理用品(扬州)有限公司 2022-08-26 — — CN disclosed
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