SCHEMBL9744129

SCHEMBL9744129

CCCC(C)OC(=O)CC(O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR84 Q9NQS5 4/20 0.32
LMNA P02545 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 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
SCHEMBL9743667 0.89 FAAH (0.47) FAAHCNR1CNR2GPR84LMNA
SCHEMBL9742886 0.87 FAAH (0.54) FAAHCNR1CNR2GPR84LMNA
SCHEMBL9745593 0.86 MMP1 (0.35) FAAHCNR1CNR2LMNAMMP1
SCHEMBL5907621 0.84 FAAH (0.41) FAAHCNR1CNR2LMNAMMP1
SCHEMBL14763891 0.82 MMP1 (0.48) FAAHCNR1CNR2LMNAMMP1
SCHEMBL6153342 0.81 MMP1 (0.38) FAAHCNR1CNR2LMNAMMP1
SCHEMBL451544 0.81 SLC22A6 (0.39) GPR84LMNAMMP1MMP2MMP3
SCHEMBL5814007 0.79 LMNA (0.45) LMNAMMP1MMP2MMP3MMP9
SCHEMBL12560394 0.79 PRKCA (0.41) LMNAMMP1MMP2MMP3MMP9
SCHEMBL1684075 0.78 GPR84 (0.46) FAAHCNR1CNR2GPR84LMNA

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
US-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 EP disclosed