SCHEMBL3391583

SCHEMBL3391583

[c]1cc2ccccc2cc1OC/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
IDO1 P14902 2/20 0.45
HCAR2 Q8TDS4 1/20 0.40
RELA Q04206 2/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAM P19021 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ALOX5 P09917 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3391942 1.00 MAOA (0.46) MAOAMAOBIDO1HCAR2RELA
SCHEMBL5888967 0.78 MAPT (0.37) HSD17B10
SCHEMBL9434207 0.74 IDO1 (0.50) MAOAMAOBIDO1HCAR2RELA
SCHEMBL9434199 0.74 IDO1 (0.50) MAOAMAOBIDO1HCAR2RELA
SCHEMBL2253339 0.73 LTA4H (0.39) RELANPC1RAB9APDGFRBPDGFRA
SCHEMBL1158153 0.73 IDO1 (0.61) MAOAMAOBIDO1RELAPPARA
SCHEMBL11426742 0.73 IDO1 (0.61) MAOAMAOBIDO1RELAPPARA
SCHEMBL1158152 0.73 IDO1 (0.61) MAOAMAOBIDO1RELAPPARA
SCHEMBL406684 0.72 ALOX5 (0.53) MAOAMAOBRAB9AALOX5
SCHEMBL13610581 0.72 MAOA (0.63) MAOAMAOBIDO1RELAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed