SCHEMBL5554510

SCHEMBL5554510

CCOC(Cc1ccnc(OCCOc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.47
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 7/20 0.43
ALDH1A1 P00352 1/20 0.42
PPARD Q03181 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 2/20 0.41
NLRP1 Q9C000 1/20 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
SCHEMBL5551004 0.88 PPARA (0.47) PPARAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL5551016 0.83 SMN1; SMN2 (0.42) PPARAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL4335691 0.82 PPARA (0.54) PPARAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL5554541 0.81 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL5555664 0.79 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5550680 0.78 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5554523 0.77 PPARA (0.47) PPARAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL5550678 0.76 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5554502 0.76 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5550981 0.73 PPARG (0.48) 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 4 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