SCHEMBL5554523

SCHEMBL5554523

CCOC(Cc1ccn(CCOc2ccc(Cl)cc2Cl)c(=O)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.47
PPARG P37231 15/20 0.47
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 2/20 0.41

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
SCHEMBL5556243 0.89 PPARA (0.45) PPARAPPARGKDM4ENPC1HPGD
SCHEMBL5550655 0.84 HPGD (0.40) PPARAKDM4ENPC1HPGDTSHR
SCHEMBL14437956 0.82 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL5554508 0.80 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL5551023 0.79 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL4335691 0.78 PPARA (0.54) PPARAPPARGNPC1HPGDTSHR
SCHEMBL5550668 0.78 PPARG (0.52) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL5554510 0.77 PPARA (0.47) PPARAPPARGNPC1HPGDTSHR
SCHEMBL5556307 0.77 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL5555653 0.75 PPARG (0.49) PPARAPPARGPPARD

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