SCHEMBL577259

SCHEMBL577259

Cc1cc(C2c3ccccc3-c3ccccc32)cc(C)c1OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
BRD4 O60885 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL8681891 0.84 ALDH1A1 (0.41) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL8681675 0.83 ALDH1A1 (0.34) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL577512 0.83 L3MBTL1 (0.39) ALDH1A1KDM4EALOX5APFEN1L3MBTL1
SCHEMBL8686776 0.82 GLRA1 (0.36) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL8681744 0.81 CYP2C9 (0.35) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL8682932 0.80 ALOX5AP (0.32) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL8683806 0.79 TSHR (0.36) ALDH1A1RECQLKDM4EALOX5APFEN1
SCHEMBL8684074 0.79 BCHE (0.35) ALDH1A1KDM4E
SCHEMBL8681476 0.78 ALDH1A1 (0.36) ALDH1A1RECQLALOX5APFEN1TP53
SCHEMBL10699545 0.77 ALDH1A1 (0.48) ALDH1A1TP53HTR2AGAAMEN1

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
EP-2418253-A1 POLYCARBONATE RESIN COMPOSITION, PROCESS FOR PRODUCING MOLDED ARTICLE THEREFROM, AND OPTICAL LENS Mitsubishi Gas Chemical Company, Inc. (JP) 2012-02-15 EP disclosed