SCHEMBL7215411

SCHEMBL7215411

NC(=O)Oc1ccc(Oc2ccc(C[C@H](NI)C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
LDHA P00338 1/20 0.39
CA2 P00918 1/20 0.39
SLC7A5 Q01650 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 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
Carbamic Acid SCHEMBL7215414 0.86 SLC7A5 (0.46) MMEACECPA1ACE2PPARG
SCHEMBL188399 0.84 FOLH1 (0.49) MMEACECPA1ACE2PPARG
SCHEMBL188398 0.84 FOLH1 (0.49) MMEACECPA1ACE2PPARG
SCHEMBL28520123 0.83 FOLH1 (0.48) MMEACECPA1ACE2PPARG
SCHEMBL4279536 0.82 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARALDHA
Sulfuric Acid SCHEMBL8910597 0.80 MEN1 (0.48) MMEACECPA1ACE2CA2
SCHEMBL8910599 0.80 KDM4E (0.46) MMEACECPA1ACE2ITGB3
Sulfuric Acid SCHEMBL8910593 0.80 MEN1 (0.48) MMEACECPA1ACE2CA2
SCHEMBL28038313 0.76 CA2 (0.52) MMEACECPA1ACE2CA2
SCHEMBL28038310 0.76 CA2 (0.52) MMEACECPA1ACE2CA2

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
WO-2003072047-A2 IDOTHYRONINE COMPOSITIONS NEW RIVER PHARMACEUTICALS INC. (US) 2003-09-04 WO disclosed