SCHEMBL13690355

SCHEMBL13690355

COc1ccc(COc2cc(Br)cc([SH](=O)=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
APP P05067 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMPD1 P17405 1/20 0.44
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.41

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
SCHEMBL310367 0.85 MAOB (0.60) MAOBAPPNPC1RAB9APOLB
SCHEMBL7240044 0.78 MAOB (0.53) MAOBAPPNPC1RAB9APOLB
SCHEMBL3930569 0.78 APP (0.63) MAOBAPPNPC1RAB9APOLB
SCHEMBL7240384 0.78 MAOB (0.53) MAOBAPPNPC1RAB9APOLB
SCHEMBL3639311 0.77 NPC1 (0.66) MAOBAPPNPC1RAB9APOLB
SCHEMBL309316 0.76 BRD4 (0.54) MAOBAPPNPC1RAB9APOLB
SCHEMBL309260 0.75 MAOB (0.50) MAOBAPPNPC1RAB9APOLB
SCHEMBL18429678 0.74 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL2270908 0.74 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL17205237 0.74 MAOB (0.49) MAOBAPPNPC1RAB9APOLB

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
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed