SCHEMBL9848082

SCHEMBL9848082

C=C(OCC)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC29A1 Q99808 1/20 0.43
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PTGS1 P23219 1/20 0.35
ELANE P08246 4/20 0.33
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9597108 1.00 KDM4E (0.46) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9597495 0.84 KDM4E (0.51) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9600259 0.83 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9596929 0.82 ESR1 (0.50) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9596477 0.79 KDM4E (0.48) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9596707 0.78 KDM4E (0.45) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9596535 0.76 KDM4E (0.52) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL21046146 0.76 LMNA (0.59) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL21046155 0.76 LMNA (0.59) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL21046147 0.76 LMNA (0.59) KDM4ELMNAESR1CHRM1SLC6A4

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
EP-0430037-A2 Process for producing 2-carbon-substituted carbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-05 EP disclosed