SCHEMBL172598

SCHEMBL172598

CCCCc1cc(-c2cc(C)c(O)c(C)c2)cc(CCCC)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TYR P14679 3/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 5/20 0.41
ESR1 P03372 3/20 0.41
MAOA P21397 1/20 0.40
PTGS2 P35354 3/20 0.40
EGFR P00533 1/20 0.40
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL14037093 0.91 CA1 (0.43) CA1CA2TYRHTTNPC1
SCHEMBL5140860 0.90 TYR (0.50) TYRHTTNPC1HPGDMAPK1
SCHEMBL2525138 0.87 ALOX5 (0.50) CA1CA2TYRHTTALOX5
SCHEMBL1022203 0.84 ESR1 (0.41) CA1CA2TYRESR1MAOA
SCHEMBL13895963 0.84 TYR (0.46) TYRHTTNPC1HPGDMAPK1
SCHEMBL11612512 0.82 CA1 (0.54) CA1CA2HTTALOX5ESR1
SCHEMBL1022719 0.80 TYR (0.44) TYRHTTALOX5ESR1PTGS2
SCHEMBL280118 0.79 TYR (0.48) TYRHTTNPC1HPGDMAPK1
SCHEMBL12457001 0.79 TYR (0.46) TYRHTTALOX5PTGS2EGFR
SCHEMBL1021056 0.79 TYR (0.46) TYRHTTALOX5PTGS2MEN1

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
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed
US-7556902-B2 Aromatic polyester resin, and electrophotographic photoconductor and image forming apparatus using thereof RICOH COMPANY, LTD. (JP) 2009-07-07 US disclosed