SCHEMBL5550996

SCHEMBL5550996

CC(C)OC(Cc1ccn(CCOc2ccc(C(F)(F)F)cc2)c(=O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.49
PPARA Q07869 19/20 0.49
PPARD Q03181 9/20 0.49
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5556293 0.91 NPC1 (0.51) PPARGPPARAPPARDNPC1MITF
SCHEMBL5556252 0.89 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL5556307 0.89 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL14437954 0.88 PPARG (0.45) PPARGPPARAPPARDNPC1MITF
SCHEMBL5555645 0.87 PPARG (0.46) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL5556228 0.82 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5551017 0.81 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL4338925 0.80 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL5550668 0.80 PPARG (0.52) PPARGPPARAPPARDNPC1MITF
SCHEMBL5551008 0.77 PPARG (0.53) PPARGPPARAPPARD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed