SCHEMBL6545718

SCHEMBL6545718

CCCCCCCC(Cc1ccccc1)C(=O)NCCc1cccc(OC(C)(CC)C(=O)O)c1.O=C(Cl)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARA Q07869 3/20 0.46
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
CTSK P43235 1/20 0.39
MMP3 P08254 3/20 0.39
MMP1 P03956 1/20 0.39
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
GCGR P47871 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39

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
SCHEMBL6545717 0.80 PPARG (0.46) PPARGPPARACYP2D6
SCHEMBL6364312 0.78 PPARG (0.58) PPARGPPARAMEN1KMT2A
SCHEMBL6545724 0.76 PPARA (0.49) PPARGPPARA
SCHEMBL6545721 0.74 PPARA (0.46) PPARGPPARA
SCHEMBL6363253 0.73 PPARA (0.57) PPARGPPARACYP2D6
SCHEMBL6545236 0.72 PPARA (0.48) PPARGPPARACYP2D6
SCHEMBL6358165 0.70 CNR2 (0.51) PPARGPPARAMEN1KMT2A
SCHEMBL6363309 0.69 PPARA (0.61) PPARGPPARAMEN1KMT2A
SCHEMBL10780415 0.67 MME (0.62) MEN1KMT2AMMP3MMP1
SCHEMBL5322284 0.67 POLB (0.59) MEN1NPC1RAB9AKMT2ACTSK

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-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed