SCHEMBL7354865

SCHEMBL7354865

CC1(Cc2ccccc2)CCCOC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CNR2 P34972 3/20 0.38
GAA P10253 1/20 0.35
BACE1 P56817 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7353378 0.90 ELANE (0.40) ELANEMAOAMAOBCNR2GAA
SCHEMBL20512123 0.81 TACR1 (0.40) MAOBNPSR1MEN1TSHRKMT2A
SCHEMBL576739 0.80 L3MBTL1 (0.42) ELANEMAOAMAOBGAANPSR1
SCHEMBL11696413 0.80 CNR2 (0.43) ELANEMAOAMAOBCNR2GAA
SCHEMBL14558127 0.78 PARP1 (0.34) GAAL3MBTL1
SCHEMBL577037 0.75 LMNA (0.41) ELANEMAOAMAOBGAANPSR1
SCHEMBL29269106 0.75 MAOA (0.41) ELANEMAOAMAOBGAABACE1
SCHEMBL11481803 0.73 GRIN1 (0.42) ELANEMAOAMAOBGAATSHR
SCHEMBL577460 0.73 TSHR (0.36) NPSR1TSHRLMNA
SCHEMBL18268924 0.73 TSHR (0.36) NPSR1TSHRLMNA

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 2 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
WO-1999036419-A1 SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO disclosed