SCHEMBL10690644

SCHEMBL10690644

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(O)cc2I)c(I)c1I)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
ACE P12821 2/20 0.44
CTSS P25774 6/20 0.41
CTSK P43235 6/20 0.41
PTPN1 P18031 2/20 0.41
PPARA Q07869 4/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
PPARG P37231 3/20 0.39
TACR1 P25103 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CTSB P07858 1/20 0.37
CTSL P07711 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL9678105 0.88 SCN9A (0.47) SCN9AACECTSSCTSKPTPN1
SCHEMBL26136049 0.87 ACE (0.52) SCN9AACECTSSCTSKPTPN1
SCHEMBL9222337 0.83 PI4K2A (0.35) ITGB3ITGA2BITGB1ITGAVITGA4
SCHEMBL29286180 0.78 ACE (0.52) SCN9AACECTSSCTSKPTPN1
SCHEMBL7859251 0.78 ACE (0.52) SCN9AACECTSSCTSKPTPN1
SCHEMBL29286179 0.78 ACE (0.52) SCN9AACECTSSCTSKPTPN1
SCHEMBL7859254 0.78 ACE (0.52) SCN9AACECTSSCTSKPTPN1
SCHEMBL23357002 0.77 ACE (0.51) SCN9AACECTSSCTSKPTPN1
SCHEMBL864799 0.77 PTPN1 (0.54) SCN9AACECTSSCTSKPTPN1
SCHEMBL864800 0.77 PTPN1 (0.54) SCN9AACECTSSCTSKPTPN1

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-4786591-A HETEROGENEOUS IMMUNOASSAY BOEHRINGER MANNHEIM GMBH (DE) 1988-11-22 US disclosed