SCHEMBL11090700

SCHEMBL11090700

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL11094931 0.84 OPRM1 (0.39) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11091882 0.83 BRD4 (0.36) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL10911791 0.82 L3MBTL1 (0.33) BRD4OPRM1ALDH1A1MAPTMEN1
SCHEMBL11097162 0.82 BRD4 (0.40) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11099865 0.81 BRD4 (0.43) BRD4OPRM1L3MBTL1MAOBOPRD1
SCHEMBL11093637 0.79 BRD4 (0.38) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11094187 0.78 MAPK1 (0.35) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11096758 0.77 KDM4E (0.34) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11098282 0.77 BRD4 (0.37) BRD4OPRM1ALDH1A1MAPTKDM4E
SCHEMBL11098604 0.76 BRD4 (0.35) BRD4OPRM1ALDH1A1MAPTKDM4E

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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