SCHEMBL25911524

SCHEMBL25911524

Cc1cccc(/C=C/c2ccc(C(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.59
PTGS1 P23219 3/20 0.54
PTGS2 P35354 3/20 0.54
ALOX5 P09917 1/20 0.51
NFE2L2 Q16236 4/20 0.49
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FBP1 P09467 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 2/20 0.44
TYR P14679 1/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL1179749 0.86 RELA (0.74) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL1179750 0.86 RELA (0.74) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL29673932 0.86 RELA (0.74) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL16105653 0.82 RELA (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL16105651 0.82 RELA (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL16105706 0.82 RELA (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL21847980 0.82 PTGS1 (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL1795130 0.82 PTGS1 (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL1795132 0.82 PTGS1 (0.69) RELAPTGS1PTGS2ALOX5NFE2L2
SCHEMBL18589848 0.81 RELA (0.62) RELAPTGS1PTGS2NFE2L2FBP1

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-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed