SCHEMBL394462

SCHEMBL394462

Cc1ccc(Nc2ccc(CCCO)cc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
BACE1 P56817 1/20 0.45
CYP4A11 Q02928 1/20 0.42
POLB P06746 1/20 0.42
PLA2G7 Q13093 1/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3919619 0.85 HPGD (0.48) ALDH1A1POLBMAPTCYP3A4NPC1
SCHEMBL395712 0.84 CYP4A11 (0.42) ALDH1A1BACE1CYP4A11MAPTL3MBTL1
SCHEMBL80684 0.80 ALDH1A1 (0.47) ALDH1A1BACE1CYP4A11MAPTCYP3A4
SCHEMBL7761596 0.79 EPHX2 (0.49) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL25445848 0.78 MAPT (0.43) ALDH1A1POLBMAPTRECQLNPC1
SCHEMBL390903 0.78 BACE1 (0.36) ALDH1A1BACE1CYP4A11CYP3A4THRB
SCHEMBL4883797 0.78 FFAR1 (0.54) ALDH1A1POLB
SCHEMBL1921405 0.78 GAA (0.52) ALDH1A1POLBMAPTCYP3A4THRB
SCHEMBL1155655 0.75 ALDH1A1 (0.53) ALDH1A1POLBMAPTCYP3A4THRB
SCHEMBL31549984 0.75 ALDH1A1 (0.53) ALDH1A1POLBMAPTCYP3A4THRB

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-8101327-B2 Charge transport and overcoating layers formed by combining a film forming polycarbonate binder and a hole transporting hydroxy triarylamine compound; surface energy-reducing silicone is crosslinked with heat or ultraviolet radiation and the coating is dried to remove solvent XEROX CORPORATION (US) 2012-01-24 US disclosed
US-20080057424-A1 Overcoat for electrophotographic imaging member and methods of making and using same XEROX CORPORATION 2008-03-06 US disclosed