SCHEMBL8891397

SCHEMBL8891397

COc1ccc(CN2C(=O)[C@@H](NC(c3ccccc3)(c3ccccc3)c3ccccc3)Cc3cc4c(cc32)OCO4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
GSK3B P49841 5/20 0.43
ADK P55263 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
XIAP P98170 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
EDNRB P24530 1/20 0.38
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.38
CNR1 P21554 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL8891676 0.85 ALDH1A1 (0.37) SCN9AGSK3BADKALDH1A1MAPT
SCHEMBL8890217 0.81 GLA (0.36) SCN9AGSK3BADKALDH1A1MAPT
SCHEMBL8890236 0.81 ALDH1A1 (0.52) GSK3BADKXIAPALDH1A1MAPT
SCHEMBL8889889 0.80 ALDH1A1 (0.35) SCN9AGSK3BADKALDH1A1TSHR
SCHEMBL8891347 0.79 CCKBR (0.43)
SCHEMBL8888951 0.79 SCN9A (0.48) SCN9AALDH1A1CNR1
SCHEMBL8890923 0.79 PYGL (0.39) GSK3BADKALDH1A1MAPTTSHR
SCHEMBL30157200 0.72 L3MBTL1 (0.38) SCN9AL3MBTL1ALDH1A1THRBTSHR
SCHEMBL25552348 0.72 L3MBTL1 (0.38) SCN9AL3MBTL1ALDH1A1THRBTSHR
SCHEMBL7420944 0.67 PYGL (0.49) XIAPALDH1A1

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