SCHEMBL4625913

SCHEMBL4625913

Cc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccc(OCCC(C)C)cc2OCCC(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
GALR3 O60755 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL12520349 0.87 ITGB1 (0.43) TP53GAAPPARGPPARAITGB1
SCHEMBL4629635 0.86 FOS (0.37) MAPK1HTTTP53SMN1; SMN2GAA
SCHEMBL1853827 0.85 ITGB1 (0.47) TP53ITGB1ITGA4THRBTSHR
SCHEMBL29424084 0.85 ITGB1 (0.47) TP53ITGB1ITGA4THRBTSHR
SCHEMBL4625095 0.84 ITGB1 (0.46) TP53ITGB1ITGA4THRBTSHR
SCHEMBL4625104 0.84 ITGB1 (0.46) TP53ITGB1ITGA4THRBTSHR
SCHEMBL4625923 0.78 FFAR4 (0.40) TDP1GAANPSR1ALDH1A1HSD17B10
SCHEMBL29660657 0.77 MAPK1 (0.42) MAPK1EPHX2HTTTP53SMN1; SMN2
SCHEMBL4624717 0.77 MAPK1 (0.42) MAPK1EPHX2HTTTP53SMN1; SMN2
SCHEMBL4624922 0.77 TSHR (0.43) MAPK1HTTSMN1; SMN2TDP1GAA

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