SCHEMBL28168311

SCHEMBL28168311

COc1c(CO)ccc2c1C(=O)c1ccc(C)c(O)c1C2=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.53
▸ EPHX2 P34913 3/20 0.48
▸ CTSG P08311 2/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SOS1 Q07889 2/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL28168423 0.89 ELANE (0.50) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL28407481 0.82 EPHX2 (0.48) ELANEEPHX2NPC1RAB9AMEN1
SCHEMBL28168314 0.79 LCK (0.47) ELANEEPHX2NPC1RAB9AMEN1
SCHEMBL16227224 0.77 EPHX2 (0.65) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL16226288 0.77 EPHX2 (0.54) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL26136410 0.77 ELANE (0.57) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL29871062 0.75 EPHX2 (0.66) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL12228756 0.75 RAB9A (0.58) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL16226004 0.74 ELANE (0.61) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL11299000 0.74 ELANE (0.54) ELANECTSGNPC1RAB9AMEN1

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-107032976-A A kind of anthraquinone analog compound with antioxidation activity and its preparation method and application 云南中烟工业有限责任公司 2017-08-11 — — CN claimed
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