SCHEMBL9680472

SCHEMBL9680472

CCCCC(O)OC(=O)CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
FAAH O00519 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CTSK P43235 4/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL9681647 0.88 MGAM (0.44) MGAMGAASIMGAM2CA2
SCHEMBL10910385 0.85 GPR84 (0.40) CA2CA1FAAHCNR1CNR2
SCHEMBL9681640 0.82 FAAH (0.44) MGAMGAASIMGAM2CA2
SCHEMBL5712402 0.82 LMNA (0.48) CA2CA1LMNACYP3A4TSHR
SCHEMBL2728978 0.81 FAAH (0.58) MGAMGAASIMGAM2CA2
SCHEMBL31309672 0.80 FAAH (0.46) FAAHCNR1CNR2LMNACYP3A4
SCHEMBL9318303 0.80 MGAM (0.44) MGAMGAASIMGAM2
SCHEMBL29032846 0.80 LMNA (0.47) CA2CA1LMNACYP3A4TSHR
SCHEMBL861395 0.79 ALDH1A1 (0.43) CA2CA1FAAHLMNATSHR
SCHEMBL3909146 0.79 MGAM (0.48) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100554233-C The preparation method of alpha-oxocarbonyl compound KURARAY CO (JP) 2009-10-28 CN disclosed
CN-1950318-A Process for producing alpha-oxycarbonyl compound KURARAY CO (JP) 2007-04-18 CN disclosed
CN-1882880-A Aqueous resist composition SHOWA DENKO KK (JP) 2006-12-20 CN disclosed
CN-1813221-A Resist composition SHOWA DENKO KK (JP) 2006-08-02 CN disclosed
US-5126373-A Ester or diester of 1,3-butanediol or 1,3-pentanediol; side effect reduction BRUNENGRABER HENRI (US) 1992-06-30 US disclosed