SCHEMBL8705178

SCHEMBL8705178

CCCC/C(C(=O)O)=C(\CCCC)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
FAAH O00519 7/20 0.42
THRB P10828 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
LTA4H P09960 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
SCHEMBL8699801 1.00 KDM4E (0.44) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL1119165 0.81 CES2 (0.56) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL3477218 0.79 KDM4E (0.45) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL643462 0.78 KMT2A (0.63) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL9815566 0.77 KDM4E (0.44) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL29287447 0.77 ZDHHC2 (0.46) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL372285 0.77 THRB (0.46) MEN1KMT2ACES2CES1ZDHHC2
SCHEMBL3152400 0.77 CES2 (0.57) CES2CES1ZDHHC2FAAH
Toluene SCHEMBL27972648 0.76 CES2 (0.50) KDM4EMEN1RECQLKMT2ACES2
Bromide SCHEMBL28850559 0.76 KMT2A (0.61) KDM4EMEN1RECQLKMT2ACES2

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
WO-1998049128-A1 PROCESS FOR PREPARING A (HETERO)AROMATIC OLEFIN DSM N.V. (NL) 1998-11-05 WO disclosed