SCHEMBL6046963

SCHEMBL6046963

O=C(O)C(Cc1ccccc1)=C(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.54
CES2 O00748 2/20 0.54
AKR1B1 P15121 1/20 0.54
CTBP2 P56545 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
PAM P19021 2/20 0.42
TSHR P16473 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3881031 0.86 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL384894 0.86 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL384895 0.86 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL304071 0.84 CES1 (0.61) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL304073 0.84 CES1 (0.61) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL28146029 0.80 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL11109782 0.78 CES1 (0.54) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL5799202 0.77 CES1 (0.52) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL166471 0.77 CES1 (0.52) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL7525941 0.77 CES1 (0.52) CES1CES2AKR1B1CTBP2MEN1

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
US-20060292450-A1 Non-aqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-12-28 US disclosed