SCHEMBL4454649

SCHEMBL4454649

CCCCc1ccc2c(c1C)C(c1ccccc1)C(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CYP1A1 P04798 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CTRC Q99895 1/20 0.35
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
MAPT P10636 2/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIP5K1A Q99755 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL4449574 0.84 GAA (0.42) GAACSNK2BCSNK2A1CYP1A1ALDH1A1
SCHEMBL3897037 0.80 CSNK2B (0.41) GAACSNK2BCSNK2A1CYP1A1MAPT
SCHEMBL3896297 0.80 CSNK2B (0.41) GAACSNK2BCSNK2A1CYP1A1MAPT
SCHEMBL4445358 0.72 CSNK2B (0.39) CSNK2BCSNK2A1ALDH1A1HPGDRAB9A
SCHEMBL1557118 0.72 GAA (0.33) GAACSNK2BCSNK2A1CYP1A1CTRC
SCHEMBL1828712 0.71 ALDH1A1 (0.40) GAAALDH1A1HPGDLMNAMAPT
SCHEMBL5819204 0.70 HTR2A (0.35) GAACYP1A1CTRCMAPTMEN1
Nonane SCHEMBL27663344 0.70 GAA (0.56) GAAMAPTMEN1KMT2A
SCHEMBL6674488 0.68 LMNA (0.36) ALDH1A1LMNAMEN1CYP3A4KMT2A
SCHEMBL4604945 0.67 GAA (0.43) GAAALDH1A1LMNARAB9AMAPT

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-8236208-B2 Optical cellulose ester film and manufacturing method thereof, and polarizing plate and liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2012-08-07 US disclosed
US-20090081388-A1 Optical Cellulose Ester Film and Manufacturing Method Thereof, and Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2009-03-26 US disclosed