SCHEMBL6582616

SCHEMBL6582616

COc1ccc(CCOc2cccc(C(C)(O)CC#N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SLC2A1 P11166 5/20 0.40
SLC2A4 P14672 2/20 0.40
SLC2A8 Q9NY64 1/20 0.40
BCL2 P10415 1/20 0.39
ADRB3 P13945 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KCNH2 Q12809 2/20 0.38
PPARG P37231 1/20 0.38
SMPD1 P17405 1/20 0.38
FFAR1 O14842 1/20 0.37
CALM1 P0DP23 1/20 0.37
CASR P41180 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9184603 0.75 ALOX5 (0.52) MAOB
SCHEMBL6582613 0.74 SIGMAR1 (0.49)
SCHEMBL11171006 0.71 PPARD (0.47) PPARDPPARAKMT2AMEN1KCNH2
SCHEMBL202923 0.70 PARP1 (0.63) SLC2A1SLC2A4SLC2A8KMT2ASMPD1
SCHEMBL24041762 0.69 BCHE (0.50) SLC2A1SLC2A4SLC2A8KCNH2FFAR1
SCHEMBL5784919 0.68 MAOB (0.58) PPARDPPARAKCNH2MAOB
SCHEMBL13439834 0.67 NPC1 (0.58) SMPD1MAOB
SCHEMBL958012 0.67 CYP19A1 (0.41) KMT2AMEN1KCNH2
SCHEMBL791296 0.66 MAOB (0.69) MAOB
SCHEMBL13815894 0.66 KIF11 (0.44)

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-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed