SCHEMBL390903

SCHEMBL390903

Cc1cc(Nc2ccc(CCCO)cc2)ccc1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
NUDT1 P36639 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRL1 P41146 2/20 0.36
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP4A11 Q02928 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.33
UNG P13051 1/20 0.32
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL394462 0.78 ALDH1A1 (0.54) BACE1PDE4BALDH1A1CYP4A11RAB9A
SCHEMBL18459371 0.73 NUDT1 (0.43) BACE1NUDT1OPRL1S1PR1
SCHEMBL395712 0.73 CYP4A11 (0.42) BACE1PDE4BALDH1A1CYP4A11MEN1
SCHEMBL10088541 0.72 NUDT1 (0.41) BACE1NUDT1OPRL1S1PR1
SCHEMBL2911579 0.70 TNKS2 (0.42) BACE1NUDT1MEN1KMT2AS1PR1
SCHEMBL2909089 0.70 BACE1 (0.70) BACE1NUDT1ALDH1A1THRBALOX15
SCHEMBL27623711 0.69 NUDT1 (0.49) BACE1NUDT1MEN1KMT2AS1PR1
SCHEMBL6567763 0.69 TNKS2 (0.47) BACE1NUDT1EPHX1MEN1KMT2A
SCHEMBL6567794 0.68 TNKS2 (0.42) BACE1NUDT1ALDH1A1RECQL
SCHEMBL11837714 0.66 PTGDR2 (0.40) BACE1NUDT1S1PR1CYP2C9CYP2C19

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