SCHEMBL5344303

SCHEMBL5344303

Oc1ccccc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
RAD51 Q06609 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AR P10275 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
AHR P35869 4/20 0.43
GUSB P08236 1/20 0.43
PRKCQ Q04759 1/20 0.42
BACE1 P56817 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
TRPA1 O75762 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ITGB2 P05107 1/20 0.40

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
SCHEMBL5337766 0.84 AHR (0.56) USP2GAAALOX15RAD51NPSR1
SCHEMBL2535677 0.81 NOTUM (0.51) ARMAOANPC1AHRPRKCQ
SCHEMBL13548684 0.81 MAPK1 (0.55) ARMAOAMAOBNPC1AHR
SCHEMBL13548692 0.81 AHR (0.51) USP2GAAALOX15RAD51NPSR1
SCHEMBL29833731 0.81 GAA (0.55) GAAARNPC1CA1CA2
SCHEMBL5338825 0.81 AR (0.48) USP2GAAALOX15RAD51NPSR1
SCHEMBL30752404 0.80 CTNNB1 (0.48) MAOANPC1CTNNB1WNT3AGPBAR1
SCHEMBL4115298 0.80 CTNNB1 (0.48) MAOANPC1CTNNB1WNT3AGPBAR1
SCHEMBL30218816 0.79 PRKCQ (0.54) GAAARNPC1AHRPRKCQ
SCHEMBL28917696 0.79 PRKCQ (0.54) GAAARNPC1AHRPRKCQ

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-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed