SCHEMBL5556243

SCHEMBL5556243

CC(C)OC(Cc1ccn(CCOc2ccc(Cl)cc2Cl)c(=O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.41
NLRP1 Q9C000 1/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
XBP1 P17861 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5550655 0.90 HPGD (0.40) PPARAKDM4EHPGDNLRP1XBP1
SCHEMBL14437954 0.82 PPARG (0.45) PPARAPPARGPPARDSMN1; SMN2LMNA
SCHEMBL5555645 0.81 PPARG (0.46) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5556252 0.79 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL4341964 0.79 MMP1 (0.50) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL4339301 0.78 PPARA (0.54) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL4336847 0.78 PPARA (0.54) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL5556293 0.78 NPC1 (0.51) PPARAPPARGPPARDKMT2ASMN1; SMN2
SCHEMBL4341219 0.77 PPARA (0.53) PPARAHPGDNLRP1PPARGPPARD
SCHEMBL5551004 0.77 PPARA (0.47) PPARAKDM4EHPGDNLRP1PPARG

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