SCHEMBL7064547

SCHEMBL7064547

CCCCCCCC[Sn+2]CCCCCCCC.O=C([O-])/C(Cc1ccccc1)=C(/Cc1ccccc1)C(=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR2 P34972 3/20 0.43
EPHX2 P34913 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
CETP P11597 4/20 0.41
ALDH1A1 P00352 1/20 0.41
DNM1 Q05193 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL384999 1.00 MEN1 (0.48) MEN1KMT2ACNR2EPHX2CES2
SCHEMBL385001 1.00 MEN1 (0.48) MEN1KMT2ACNR2EPHX2CES2
SCHEMBL384562 0.94 CES2 (0.44) MEN1KMT2ACNR2EPHX2CES2
SCHEMBL384564 0.94 CES2 (0.44) MEN1KMT2ACNR2EPHX2CES2
Benzoic Acid SCHEMBL3991688 0.78 CES2 (0.54) CES2CES1
SCHEMBL383753 0.77 CNR2 (0.46) MEN1KMT2ACNR2CES2CES1
SCHEMBL15751205 0.77 CES1 (0.62) MEN1KMT2AEPHX2CES2CES1
SCHEMBL304072 0.77 CES1 (0.62) MEN1KMT2AEPHX2CES2CES1
SCHEMBL383930 0.77 EPHX2 (0.49) MEN1KMT2ACNR2EPHX2CES2
SCHEMBL383932 0.77 EPHX2 (0.49) MEN1KMT2ACNR2EPHX2CES2

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-0863165-B1 Method of producing conjugated diene polymers JSR CORP (JP) 2003-06-04 EP claimed