SCHEMBL4557308

SCHEMBL4557308

Cc1cccc(C(=O)O)c1CN1C(=O)C(CO)(c2cc3c(cc2O)OCO3)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.47
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.36

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
SCHEMBL4939376 0.89 SCN9A (0.47) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4597085 0.87 SCN9A (0.48) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4595630 0.81 ALDH1A1 (0.53) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4597663 0.81 ALDH1A1 (0.55) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL484051 0.81 SCN9A (0.58) SCN9AALDH1A1MEN1KMT2A
SCHEMBL281905 0.81 SCN9A (0.48) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL3007855 0.80 SCN9A (0.52) SCN9AALDH1A1MEN1KMT2AGAA
SCHEMBL1612150 0.80 SCN9A (0.56) SCN9AALDH1A1MEN1KMT2A
SCHEMBL15314921 0.79 SCN9A (0.50) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL14506505 0.78 ALDH1A1 (0.52) SCN9AALDH1A1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073806-A2 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-07-01 EP disclosed
WO-2008060789-A2 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-05-22 WO disclosed