SCHEMBL28030449

SCHEMBL28030449

Fc1cc(F)cc(COc2ccc(Br)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
GSK3B P49841 2/20 0.53
BACE1 P56817 2/20 0.53
MAOB P27338 9/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL15156306 0.84 MAOB (0.73) MAOBMRGPRX4MAOA
SCHEMBL7021392 0.82 GSK3B (0.58) APPGSK3BBACE1MAOBMMP2
SCHEMBL21568939 0.82 MAOB (0.67) APPMAOBRXRARXRBCA12
SCHEMBL5376609 0.81 MAOB (0.72) APPGSK3BBACE1MAOBMAOA
SCHEMBL2399080 0.79 APP (0.80) APPMAOBRXRARXRBCA12
SCHEMBL30792426 0.78 MAOB (0.60) APPMAOBRXRARXRBMRGPRX4
SCHEMBL863820 0.77 GSK3B (0.49) APPGSK3BBACE1MAOBMMP2
SCHEMBL6690786 0.77 GSK3B (0.64) GSK3BBACE1MAOBMMP2MMP9
SCHEMBL29303966 0.77 APP (0.58) APPGSK3BBACE1MAOBRXRA
SCHEMBL19134702 0.75 MRGPRX4 (0.52) APPGSK3BBACE1MAOBMMP2

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
CN-103553878-B A kind of novel preparation method of cyclohexyl phenol class liquid crystal intermediates compound Yantai Derun Liquid Crystal Materials Co., Ltd. (CN) 2015-08-19 CN disclosed