SCHEMBL12161237

SCHEMBL12161237

BCc1cc(CC)cc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
TRPA1 O75762 1/20 0.33
PRKCA P17252 2/20 0.33
PRKCD Q05655 2/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
HSPA5 P11021 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CASP6 P55212 1/20 0.30

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
SCHEMBL10064331 0.87 PTGS2 (0.39) RXRARXRBTRPA1PTGS2HSPA5
SCHEMBL608438 0.87 ACHE (0.48) ACHERXRARXRBTRPA1PRKCA
SCHEMBL8231933 0.87 ACHE (0.48) ACHERXRARXRBTRPA1PRKCA
SCHEMBL16961327 0.81 CYP4F2 (0.48) ACHERXRARXRBTRPA1PRKCA
SCHEMBL16952582 0.78 PGK1 (0.41) ACHERXRARXRBTRPA1PRKCA
SCHEMBL12119353 0.78 ACHE (0.67) ACHERXRARXRBTRPA1PRKCA
SCHEMBL23429131 0.76 ACHE (0.39) ACHERXRARXRBTRPA1PRKCA
SCHEMBL2620706 0.76 PTGS2 (0.37) RXRARXRBPTGS2
SCHEMBL16960040 0.76 ACHE (0.39) ACHERXRARXRBTRPA1PRKCA
SCHEMBL16957078 0.76 CNR1 (0.39) ACHERXRARXRBTRPA1PRKCA

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-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed