SCHEMBL8451271

SCHEMBL8451271

CCN(CC)c1ccc(COC[C@H](NC(=O)C(C)CSC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.51
PPARA Q07869 2/20 0.46
MME P08473 2/20 0.46
PPARG P37231 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
FOLH1 Q04609 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOX1 Q9Y5S8 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 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
SCHEMBL6576249 0.92 MME (0.45) ACEPPARAMMEPPARGFOLH1
SCHEMBL6576254 0.92 MME (0.45) ACEPPARAMMEPPARGFOLH1
SCHEMBL8451005 0.90 ACE (0.49) ACEPPARAMMEPPARGFOLH1
SCHEMBL8452123 0.85 ACE (0.71) ACE
SCHEMBL8450544 0.83 ACE (0.48) ACEPPARAMMEPPARGFOLH1
SCHEMBL8446657 0.82 PPARA (0.49) ACEPPARAMMEPPARGL3MBTL1
SCHEMBL8451023 0.82 MME (0.45) ACEPPARAMMEPPARGL3MBTL1
SCHEMBL8449644 0.81 ACE (0.46) ACEPPARAMMEPPARGFOLH1
SCHEMBL8451673 0.76 ACE (0.59) ACE
SCHEMBL6578424 0.76 ACE (0.59) ACE

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-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed