SCHEMBL7363581

SCHEMBL7363581

CC(C)Cc1nc(-c2cccnc2)oc1C(=O)N(CCCc1ccccc1)C(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.40
PPARA Q07869 9/20 0.40
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
GBA1 P04062 2/20 0.35
PSMB5 P28074 1/20 0.34
POLB P06746 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL7661859 0.82 PPARG (0.35) PPARGPPARACES1
SCHEMBL6801355 0.81 CTSL (0.38) PPARGPPARAFAAHCES1POLB
SCHEMBL6797431 0.73 TP53 (0.35) PPARGPPARA
SCHEMBL7364307 0.72 PPARG (0.33) PPARGPPARAFAAHCES1
SCHEMBL6807131 0.70 PPARG (0.38) PPARGPPARAFAAHCES1POLB
SCHEMBL6807134 0.67 CTSL (0.44) PPARGPPARAFAAHCES1POLB
SCHEMBL6800322 0.65 KDM4E (0.38) PPARGPPARAFAAHPOLBIKBKB
SCHEMBL7363588 0.65 ALDH1A1 (0.37) PPARGPPARAPOLBIKBKB
SCHEMBL7430870 0.64 PPARG (0.32) PPARGPPARAFAAHCES1
SCHEMBL6799382 0.64 TP53 (0.37) PPARGPPARA

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