SCHEMBL10020127

SCHEMBL10020127

CCOc1ccc([C@@](C)(F)Oc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
NQO1 P15559 1/20 0.33
PDK2 Q15119 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAOB P27338 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL15257982 0.90 L3MBTL1 (0.40) L3MBTL1LMNAMAPTATMNQO1
SCHEMBL10020100 0.87 KDM1A (0.34) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL10020147 0.84 PDK2 (0.35) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL10019903 0.81 L3MBTL1 (0.34) L3MBTL1LMNAMAPTATMNQO1
SCHEMBL15257981 0.80 KDM1A (0.35) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL15257977 0.79 PDK2 (0.36) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL10019944 0.79 MAOB (0.38) L3MBTL1LMNAMAPTNQO1CYP1A2
SCHEMBL10019904 0.79 PDK2 (0.33) PDK2
SCHEMBL10020180 0.79 PDK2 (0.33) PDK2
SCHEMBL10020168 0.78 GABRA1 (0.32) PDK2CYP1A2CYP2C19CYP2C9

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
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed