SCHEMBL7973384

SCHEMBL7973384

CCOC(=O)C(C(=O)OC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

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
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP8 P22894 2/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 2/20 0.34
CAD P27708 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL334770 0.91 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2600065 0.86 SMN1; SMN2 (0.46) CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL20074302 0.81 ALDH1A1 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5153170 0.81 CYP1A2 (0.40) MGAMGAASIMGAM2CA1
SCHEMBL20468921 0.80 HTT (0.41) MGAMGAASIMGAM2CA1
SCHEMBL4149915 0.80 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3212385 0.80 ALDH1A1 (0.40) MGAMGAASIMGAM2CA2
SCHEMBL23884117 0.79 HTT (0.35) MGAMGAASIMGAM2CA1
SCHEMBL9796637 0.79 MGAM (0.34) MGAMGAASIMGAM2CA1
Hydrochloric Acid SCHEMBL7344003 0.78 PIN1 (0.39) MGAMGAASIMGAM2CA2

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-2001072704-A1 AZETIDINONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A METHOD FOR PRODUCING 1-β-ALKYL AZETIDINONE USING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2001-10-04 WO claimed
WO-2001072704-A1 AZETIDINONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A METHOD FOR PRODUCING 1-β-ALKYL AZETIDINONE USING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2001-10-04 WO disclosed