SCHEMBL11370548

SCHEMBL11370548

COC(=O)c1c(O)noc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
PDE3A Q14432 1/20 0.40
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11367716 0.76 PTGS2 (0.36) PTGS2PTGS1PDE3ALMNAALDH1A1
SCHEMBL9642139 0.75 HTT (0.41) LMNAALDH1A1HTTL3MBTL1
SCHEMBL2717857 0.70 HTT (0.47) PTGS1LMNAALDH1A1HTT
SCHEMBL4585129 0.69 CYP1A2 (0.41) PTGS2PTGS1PDE3A
SCHEMBL9428201 0.66 NPSR1 (0.42) PTGS1LMNAALDH1A1HTTL3MBTL1
SCHEMBL13544355 0.66 PTGS2 (0.46) PTGS2PTGS1PDE3ALMNAL3MBTL1
SCHEMBL28804378 0.66 ALDH1A1 (0.43) LMNAALDH1A1HTTL3MBTL1
SCHEMBL9874822 0.65 TSHR (0.50) LMNACA12CA1CA2CA7
SCHEMBL371239 0.64 HTT (0.48) LMNAALDH1A1HTTL3MBTL1
SCHEMBL2718249 0.63 ALDH1A1 (0.38) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4247548-A 7α-Methoxycephalosporin derivatives and their pharmaceutical compositions having antibacterial activity SANKYO COMPANY LIMITED (JP) 1981-01-27 US disclosed