SCHEMBL27972753

SCHEMBL27972753

CCOC(=O)CCc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
MAPT P10636 5/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MITF O75030 1/20 0.45
CYP4Z1 Q86W10 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
APP P05067 1/20 0.41

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
SCHEMBL27593722 0.92 MAPT (0.51) CYP4F2CYP4A11MAPTKDM4ETSHR
SCHEMBL26264596 0.86 LMNA (0.50) MAPTKDM4ETSHRCYP4Z1SMN1; SMN2
SCHEMBL4643463 0.85 CYP4F2 (0.52) CYP4F2CYP4A11MAPTKDM4ETSHR
SCHEMBL8790409 0.82 TSHR (0.55) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL397878 0.82 CYP4F2 (0.47) CYP4F2CYP4A11MAPTKDM4EMITF
SCHEMBL27640326 0.80 LMNA (0.49) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL4644934 0.80 CYP4F2 (0.50) CYP4F2CYP4A11MAPTKDM4EMITF
SCHEMBL13991528 0.80 CYP4F2 (0.64) CYP4F2CYP4A11MAPTKDM4ETSHR
SCHEMBL4644322 0.79 CYP4F2 (0.52) CYP4F2CYP4A11MAPTKDM4EMITF
SCHEMBL4642309 0.79 CYP4F2 (0.46) CYP4F2CYP4A11MAPTKDM4EMITF

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
CN-103958472-A Aryl-or N-heteroaryl-substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH 2014-07-30 CN disclosed