SCHEMBL11099865

SCHEMBL11099865

Cc1ccc(C2=C(OCc3ccccc3)CC(C)(C)CC2=O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOB P27338 8/20 0.43
▸ OPRM1 P35372 3/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ MAOA P21397 4/20 0.38
▸ HPD P32754 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ SIRT1 Q96EB6 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
SCHEMBL11096198 0.88 BRD4 (0.49) BRD4L3MBTL1MAOBOPRM1OPRD1
SCHEMBL11094830 0.86 KDM4E (0.38) BRD4L3MBTL1MAOBFFAR1
SCHEMBL11094931 0.82 OPRM1 (0.39) BRD4L3MBTL1MAOBOPRM1OPRD1
SCHEMBL11091882 0.81 BRD4 (0.36) BRD4L3MBTL1MAOBOPRM1
SCHEMBL11090700 0.81 ADORA3 (0.38) BRD4L3MBTL1MAOBOPRM1OPRD1
SCHEMBL11097162 0.80 BRD4 (0.40) BRD4L3MBTL1OPRM1
SCHEMBL11093637 0.77 BRD4 (0.38) BRD4L3MBTL1OPRM1
SCHEMBL11098815 0.76 TP53 (0.35) BRD4L3MBTL1OPRM1
SCHEMBL11098282 0.75 BRD4 (0.37) BRD4L3MBTL1OPRM1
SCHEMBL11098604 0.74 BRD4 (0.35) BRD4L3MBTL1OPRM1FFAR1

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
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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