SCHEMBL4776653

SCHEMBL4776653

COc1ccc(COc2c[c]cc(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
APP P05067 7/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMPD1 P17405 1/20 0.45
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
FFAR1 O14842 1/20 0.44

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 0.83 MAOB (0.60) MAOBAPPNPC1RAB9APOLB
SCHEMBL27747848 0.81 MAOB (0.64) MAOBRAB9ASMN1; SMN2
SCHEMBL2270908 0.79 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL18429678 0.79 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL28075228 0.79 MAOB (0.75) MAOBAPPNPC1RAB9ATDP1
SCHEMBL1068523 0.78
SCHEMBL20000873 0.76 APP (0.80) MAOBAPPNPC1RAB9APOLB
SCHEMBL7240044 0.76 MAOB (0.53) MAOBAPPNPC1RAB9APOLB
SCHEMBL3930569 0.76 APP (0.63) MAOBAPPNPC1RAB9APOLB
SCHEMBL7240384 0.76 MAOB (0.53) 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-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed