SCHEMBL6932608

SCHEMBL6932608

FC(F)(F)Oc1c[c]c(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAOB P27338 8/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 4/20 0.38
AR P10275 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTPRZ1 P23471 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4915707 0.75 L3MBTL1 (0.44) MAOB
SCHEMBL21268362 0.75 MAPT (0.34) MAOB
SCHEMBL621805 0.74 GPR3 (0.38) MAOB
SCHEMBL2452025 0.74 MRGPRX4 (0.41) RXRARXRBARMMP1MMP2
SCHEMBL17046408 0.73 L3MBTL1 (0.36) MAOBCA12CA1CA2CA7
SCHEMBL4831489 0.71 APP (0.45) APPRXRARXRBMAOBIDO1
SCHEMBL3609423 0.70 MAOB (0.46) MAOBMAOAAR
SCHEMBL220074 0.70 MAPT (0.47) MAOB
SCHEMBL160011 0.70 GPR3 (0.35) CA12CA1CA2CA7CA9
SCHEMBL6701726 0.69 USP28 (0.49) APPMAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368300-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070462-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed