SCHEMBL9836778

SCHEMBL9836778

CC1C([S+]([O-])c2ccccc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
ESR1 P03372 2/20 0.42
PDE4A P27815 1/20 0.42
ABCC2 Q92887 1/20 0.42
CACNA1C Q13936 1/20 0.37
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL9128902 1.00 PTGS1 (0.42) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL8576696 1.00 PTGS1 (0.42) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL9126535 0.90 PTGS1 (0.39) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL8437702 0.90 PTGS1 (0.39) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL8975950 0.83 ESR1 (0.42) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL9428011 0.83 CACNA1C (0.40) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL8976102 0.82 ELANE (0.32) PTGS1ESR1PDE4AABCC2ELANE
SCHEMBL8039606 0.82 ELANE (0.32) PTGS1ESR1PDE4AABCC2ELANE
SCHEMBL8039652 0.80 ESR1 (0.40) PTGS1ESR1PDE4AABCC2CACNA1C
SCHEMBL8694071 0.80 ESR1 (0.40) PTGS1ESR1PDE4AABCC2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202048-B1 CARBAPENEM DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1991-10-30 EP disclosed
US-4771046-A ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1988-09-13 US disclosed
EP-0202048-A1 Carbapenem derivatives, their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1986-11-20 EP disclosed