SCHEMBL27734247

SCHEMBL27734247

CCc1cc(CC)cc(OC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.55
▸ CYP4A11 Q02928 1/20 0.55
▸ LMNA P02545 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ AKT1 P31749 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3407391 0.96 CYP4F2 (0.55) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16954675 0.92 CYP4F2 (0.67) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16952285 0.88 LMNA (0.50) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL27795260 0.87 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16955870 0.87 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16952283 0.87 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16954673 0.84 LMNA (0.46) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16955768 0.82 CYP4F2 (0.44) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16955771 0.82 LMNA (0.45) CYP4F2CYP4A11LMNAMAPTKDM4E
SCHEMBL16956699 0.82 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTKDM4E

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
CN-101861306-B 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives herbicides SUMITOMO CHEMICAL CO 2013-02-06 — — CN disclosed
CN-101861306-A 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives as herbicides SUMITOMO CHEMICAL CO 2010-10-13 — — CN disclosed
CN-100422160-C Morpholine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-10-01 — — CN disclosed
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