SCHEMBL3418221

SCHEMBL3418221

Cc1cc(C)c(OP(Oc2c(C)cc(C)cc2C)c2ccccc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SCN4A P35499 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 2/20 0.33

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
SCHEMBL2693261 0.86 CYP1A2 (0.36) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL8939005 0.86 MAPT (0.35) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL8634811 0.84 ALDH1A1 (0.36) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL8630837 0.79 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL4433002 0.79 L3MBTL1 (0.39) LMNATSHRACHEMAPTL3MBTL1
SCHEMBL11300513 0.77 ALDH1A1 (0.39) CYP1A2TSHRCYP3A4TDP1TACR1
SCHEMBL13199356 0.77 NPSR1 (0.35) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL13799586 0.76 L3MBTL1 (0.31) CYP1A2SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL13199354 0.76 ALDH1A1 (0.35) TSHRTDP1
SCHEMBL10309813 0.76 TDP1 (0.33) TSHRMAPTL3MBTL1ATMTDP1

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
US-20100252786-A1 CELLULOSE ESTER FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-10-07 US disclosed
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 US disclosed