SCHEMBL5556293

SCHEMBL5556293

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PPARG P37231 15/20 0.48
PPARA Q07869 14/20 0.48
PPARD Q03181 9/20 0.48
MCL1 Q07820 2/20 0.48
BCL2 P10415 1/20 0.40
KMT2A Q03164 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
SCHEMBL5550996 0.91 PPARG (0.49) NPC1MITFLMNATP53RAB9A
SCHEMBL14437954 0.89 PPARG (0.45) NPC1MITFLMNATP53RAB9A
SCHEMBL5550668 0.88 PPARG (0.52) NPC1MITFLMNATP53RAB9A
SCHEMBL5556252 0.88 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL5555645 0.88 PPARG (0.46) NPC1RAB9APPARGPPARAPPARD
SCHEMBL5556228 0.83 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5551017 0.82 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL5556307 0.80 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4335117 0.79 PPARG (0.52) NPC1MITFLMNARAB9APPARG
SCHEMBL5556243 0.78 PPARA (0.45) NPC1LMNARAB9ASMN1; SMN2PPARG

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