SCHEMBL8890217

SCHEMBL8890217

CCOCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2cc3c(cc21)OCO3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
GSK3B P49841 3/20 0.36
ALDH1A1 P00352 4/20 0.36
ADK P55263 2/20 0.34
SCN9A Q15858 3/20 0.33
TSHR P16473 4/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8890894 0.91 ALDH1A1 (0.36) GLAGSK3BALDH1A1ADKSCN9A
SCHEMBL8891676 0.90 ALDH1A1 (0.37) GLAGSK3BALDH1A1ADKSCN9A
SCHEMBL8890228 0.89 SCN9A (0.37) GLAGSK3BALDH1A1SCN9A
SCHEMBL8888951 0.84 SCN9A (0.48) GLAALDH1A1SCN9A
SCHEMBL7415758 0.84 ACE (0.36) KDM4E
SCHEMBL8889889 0.83 ALDH1A1 (0.35) GLAGSK3BALDH1A1ADKSCN9A
SCHEMBL8890236 0.82 ALDH1A1 (0.52) GSK3BALDH1A1ADKTSHRMAPT
SCHEMBL8891347 0.82 CCKBR (0.43)
SCHEMBL8890923 0.82 PYGL (0.39) GSK3BALDH1A1ADKTSHRMAPT
SCHEMBL8891397 0.81 SCN9A (0.45) GSK3BALDH1A1ADKSCN9ATSHR

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-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed