SCHEMBL27948907

SCHEMBL27948907

CCOC(=O)c1cc(-c2ccccc2)c2ccc3ccccc3c2c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
CDC25B P30305 2/20 0.48
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL27933324 0.91 CCR6 (0.48) CCR6CDC25BKDM4EALDH1A1GAA
SCHEMBL27933355 0.85 CCR6 (0.53) CCR6CDC25BKDM4EALDH1A1GAA
SCHEMBL28068265 0.84 ALDH1A1 (0.50) CCR6CDC25BKDM4EALDH1A1GAA
SCHEMBL28335558 0.83 CCR6 (0.48) CCR6CDC25BKDM4EALDH1A1GAA
SCHEMBL28333209 0.80 KDM4E (0.57) CCR6KDM4EALDH1A1GAAKMT2A
SCHEMBL28335553 0.79 MAPK1 (0.56) CCR6KDM4EALDH1A1GAAKMT2A
SCHEMBL28335604 0.77 ALDH1A1 (0.50) CCR6KDM4EALDH1A1GAAKMT2A
SCHEMBL28333208 0.77 ALDH1A1 (0.47) CCR6KDM4EALDH1A1GAAKMT2A
SCHEMBL28333343 0.77 ALDH1A1 (0.52) CCR6KDM4EALDH1A1GAAKMT2A
SCHEMBL28333205 0.76 ALDH1A1 (0.53) KDM4EALDH1A1GAANPC1RAB9A

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-103467282-B Synthesis method of polysubstitution naphthol and derivative of polysubstitution naphthol NANJING UNIVERSITY OF TECHNOLOGY 2015-03-25 CN disclosed
CN-103467282-A Synthesis method of polysubstitution naphthol and derivative of polysubstitution naphthol NANJING UNIVERSITY OF TECHNOLOGY 2013-12-25 CN disclosed