SCHEMBL28168423

SCHEMBL28168423

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.50
▸ EPHX2 P34913 3/20 0.46
▸ CTSG P08311 3/20 0.43
▸ SOS1 Q07889 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28168311 0.89 ELANE (0.53) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL28430344 0.83 EPHX2 (0.46) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL28168823 0.80 LCK (0.45) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL16227224 0.75 EPHX2 (0.65) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL26136410 0.74 ELANE (0.57) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL29871062 0.73 EPHX2 (0.66) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL16226004 0.72 ELANE (0.61) ELANEEPHX2CTSGSOS1NPC1
SCHEMBL28407481 0.72 EPHX2 (0.48) ELANEEPHX2SOS1NPC1RAB9A
SCHEMBL31441198 0.70 ELANE (0.44) ELANEEPHX2CTSGNPC1RAB9A
SCHEMBL31441202 0.70 NPC1 (0.43) ELANEEPHX2CTSGNPC1RAB9A

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-107129428-A A kind of anthraquinone analog compound and its preparation method and application 云南中烟工业有限责任公司 2017-09-05 — — CN claimed
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