SCHEMBL7106722

SCHEMBL7106722

C#Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LTA4H P09960 8/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PTGS2 P35354 1/20 0.41
HAO1 Q9UJM8 2/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2187923 0.88 HAO1 (0.44) LTA4HCA2CA9CA14HAO1
SCHEMBL166276 0.85
Hydrochloric Acid SCHEMBL28636364 0.83 LMNA (0.47) MAOAMAOBCA2CA9CA14
Bromide SCHEMBL31124594 0.83 LMNA (0.47) MAOAMAOBCA2CA9CA14
SCHEMBL7038781 0.81 HAO1 (0.41) LTA4HCA2CA9CA14HAO1
SCHEMBL9049234 0.81 HAO1 (0.43) MAOAMAOBHAO1ARALDH1A1
SCHEMBL457634 0.80 MAOA (0.74) MAOAMAOBLTA4HCA2MMP2
SCHEMBL9242729 0.80 MAOA (0.74) MAOAMAOBLTA4HCA2MMP2
SCHEMBL4552441 0.79 FFAR1 (0.49) ALDH1A1KDM4EMEN1CYP1A2CYP2D6
SCHEMBL309042 0.79 LTA4H (0.57) MAOALTA4HCA2HAO1

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
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP claimed