SCHEMBL7350398

SCHEMBL7350398

C=CCC1(Cc2ccccc2)CCOC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
BDKRB2 P30411 1/20 0.32
GAA P10253 1/20 0.31
BACE1 P56817 1/20 0.31
MYC P01106 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL576279 0.87 L3MBTL1 (0.45) LMNAHTTNPSR1L3MBTL1MAOA
Hydrochloric Acid SCHEMBL28211399 0.85 L3MBTL1 (0.44) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL7359510 0.84 GRM1 (0.47) MAOAMAOB
SCHEMBL575938 0.82 LMNA (0.31) LMNA
SCHEMBL7361013 0.78 CYP3A4 (0.51) NPSR1ALDH1A1KMT2A
SCHEMBL4470421 0.78 HTT (0.38) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL576739 0.78 L3MBTL1 (0.42) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL577037 0.76 LMNA (0.41) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL7357694 0.76 GRM1 (0.46) MAOAMAOB
Hydrocinnamyl Alcohol SCHEMBL28050024 0.75 NAAA (0.39) LMNAHTTNPSR1L3MBTL1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999036419-A1 SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO claimed
EP-1047686-A1 SUBSTITUTED BICYCLIC LACTONES Bayer Aktiengesellschaft (DE) 2000-11-02 EP disclosed
WO-1999036419-A1 SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO disclosed
WO-1999036418-A1 SUBSTITUTED BICYCLIC LACTONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO disclosed