SCHEMBL6604633

SCHEMBL6604633

CCc1oc(-c2ccccc2)nc1CCCO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.47
PPARA Q07869 11/20 0.47
PPARD Q03181 2/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TARBP2 Q15633 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL6603331 0.91 PPARA (0.47) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL6607542 0.86 PPARG (0.46) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL26062737 0.84 PPARG (0.47) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL6606425 0.84 KDM4E (0.49) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL13960245 0.82 KDM4E (0.49) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL5022312 0.82 KDM4E (0.61) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL6607539 0.81 MEN1 (0.42) KDM4ENPC1RAB9AHPGDALDH1A1
SCHEMBL5111146 0.81 PPARA (0.48) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL13341901 0.78 KDM4E (0.45) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL5858351 0.78 PPARG (0.60) PPARGPPARAPPARDKDM4ENPC1

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
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 WO disclosed