SCHEMBL4909398

SCHEMBL4909398

CC(C)(CC(=CI)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL16214707 1.00 CYP2C19 (0.43) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL3281158 0.84 TAAR1 (0.44) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL29130606 0.76 TBXAS1 (0.37) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL12936794 0.76 HIF1A (0.52) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL14921 0.73 TAAR1 (0.48) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL1019327 0.73 TAAR1 (0.48) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL5086098 0.73 CES2 (0.52) HDAC1HDAC2HDAC3NCOR2CES1
SCHEMBL57411 0.72 CYP2C19 (0.69) CYP2C19HIF1ATAAR1ME2ME1
SCHEMBL9864678 0.71 TAAR1 (0.33) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL28881113 0.71 TAAR1 (0.33) CYP2C19HIF1ATAAR1ALDH1A1HTT

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-8208197-B2 Optical film, and polarizing plate and liquid crystal display device using the optical film FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20080198446-A1 OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE OPTICAL FILM FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed