SCHEMBL7430870

SCHEMBL7430870

NC(=O)C1(C[CH]C(=O)N(CCCc2ccccc2)C(=O)c2oc(-c3ccncc3)nc2CC2CCCCC2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.32
PPARA Q07869 3/20 0.32
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL7364307 0.80 PPARG (0.33) PPARGPPARAFAAHCES1
SCHEMBL7363592 0.71 FAAH (0.34) FAAH
SCHEMBL6807014 0.68 CTSL (0.45) MMP1MMP2MMP3
SCHEMBL7363581 0.64 PPARG (0.40) PPARGPPARAFAAHCES1
SCHEMBL6807013 0.63 F2RL1 (0.38) PPARG
SCHEMBL6806942 0.63 CTSL (0.43) MMP1MMP2MMP3
SCHEMBL6806939 0.63 CTSL (0.36) PPARGPPARAMMP1MMP2MMP3
SCHEMBL5815466 0.59 LMNA (0.45)
SCHEMBL7419258 0.59 CTSB (0.32)
SCHEMBL7411437 0.58 CTSB (0.31)

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-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 WO disclosed