SCHEMBL4731619

SCHEMBL4731619

c1ccc(COc2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 1.00
MAOA P21397 11/20 0.82
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
GRM5 P41594 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX5 P09917 1/20 0.54
FAAH O00519 1/20 0.54

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
SCHEMBL21213879 0.90 MAOB (1.00) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL11613149 0.84 MAOB (0.73) MAOBMAOANPC1RAB9AHPGD
SCHEMBL11698521 0.83 MAOB (0.71) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL11559934 0.81 MAOB (0.68) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL11663617 0.81 MAOB (0.68) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8672485 0.81 MAOB (1.00) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL12502194 0.81 MAOB (0.68) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL7910955 0.81 MAOB (0.66) MAOBMAOANPC1RAB9A
SCHEMBL1697225 0.81 MAOB (0.68) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL16892161 0.80 RAB9A (0.68) MAOBMAOANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008046084-A2 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
US-5028720-A 6,7-nonsubstituted and 6,7-disubstituted-3,4-dihydroxy benzopyran-2H-one compounds having antiaggregatory properties and processes for their preparation OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1991-07-02 US disclosed
US-4845121-A Aci-reductone compounds belonging to the 6,7-disubstituted-3,4-dihydro benzopyan-2H-one class having antiaggregatory properties THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1989-07-04 US disclosed