SCHEMBL4629635

SCHEMBL4629635

Cc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccc(OCC(C)C)cc2OCC(C)C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.37
JUN P05412 2/20 0.37
XDH P47989 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TRIM24 O15164 1/20 0.34
ABL1 P00519 1/20 0.34
PPARD Q03181 3/20 0.34
ACACB O00763 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL4625913 0.86 MAPK1 (0.42) PPARDPPARGSMN1; SMN2TP53GAA
SCHEMBL4624586 0.82 MAPT (0.39) FOSJUNXDHTRIM24MAPT
SCHEMBL12520349 0.81 ITGB1 (0.43) PPARGMAPTNPC1TP53GAA
SCHEMBL4625923 0.80 FFAR4 (0.40) MAPTGAAMCL1ALDH1A1HPGD
SCHEMBL1853827 0.80 ITGB1 (0.47) TP53
SCHEMBL29424084 0.80 ITGB1 (0.47) TP53
SCHEMBL4625095 0.79 ITGB1 (0.46) TP53
SCHEMBL4625104 0.79 ITGB1 (0.46) TP53
SCHEMBL4625910 0.78 HDAC1 (0.35) ACACBMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL19180233 0.77 NPC1 (0.43) MAPTSMN1; SMN2NPC1TP53GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215044-B1 A laser engravable flexographic printing element and a method for forming a printing plate from the element DU PONT (US) 2008-05-21 EP claimed