SCHEMBL6046964

SCHEMBL6046964

C=C(C(=O)O)C(Br)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HTT P42858 2/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
OPRL1 P41146 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6047008 0.86 CES2 (0.33) CES2CES1HTTLMNAMAPT
SCHEMBL28553187 0.81 HPGD (0.42) CES2CES1HTTIDO1TDO2
SCHEMBL8133019 0.80 CES2 (0.45) CES2CES1HTTIDO1TDO2
SCHEMBL8133022 0.80 CES2 (0.45) CES2CES1HTTIDO1TDO2
SCHEMBL5610465 0.76 CES2 (0.61) CES2CES1LMNAMAPTXBP1
SCHEMBL8029377 0.76 L3MBTL1 (0.37) CES2CES1LMNAMAPTXBP1
SCHEMBL20930584 0.74 CYP2D6 (0.50) CES2CES1HTTIDO1TDO2
SCHEMBL28545488 0.74 ALDH1A1 (0.43) HTTIDO1TDO2LMNAMAPT
SCHEMBL9126501 0.70 CYP2C19 (0.46) HTTCYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL30078420 0.70 CYP2C19 (0.46) HTTCYP2C9CYP2C19KMT2AALDH1A1

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