SCHEMBL91985

SCHEMBL91985

CCCCOc1ccc([I+]c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 4/20 0.42
LTA4H P09960 2/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 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
SCHEMBL12703041 0.81 MAPT (0.47) L3MBTL1ALDH1A1MAOBLMNAGAA
SCHEMBL2429378 0.81 L3MBTL1 (0.66) FAAHPPARGPPARAPTGESALOX5
Fluoride Ion SCHEMBL245169 0.80 MAPT (0.46) L3MBTL1ALDH1A1MAOBUSP2LMNA
SCHEMBL3200931 0.78 LTA4H (0.63) HTTALDH1A1LTA4HLMNANPY1R
SCHEMBL859596 0.78 LTA4H (0.55) ALDH1A1LTA4HUSP2LMNAGAA
SCHEMBL1061852 0.78 LTA4H (0.44) FAAHLTA4H
SCHEMBL2441265 0.77 NR5A1 (0.56) LTA4HLMNAGAAMAPT
SCHEMBL92031 0.76 TSHR (0.52) ALDH1A1GAAMAPT
SCHEMBL22221774 0.76 L3MBTL1 (0.64) FAAHPPARGPPARAPTGESALOX5
SCHEMBL2436242 0.76 NR5A1 (0.54) LTA4HLMNAGAAMAPT

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-8127675-B2 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20100005989-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION 2010-01-14 US disclosed