SCHEMBL14434591

SCHEMBL14434591

CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(C[C@@H](OC)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.58
PPARA Q07869 9/20 0.58
PPARG P37231 8/20 0.58
FFAR1 O14842 9/20 0.54
CHRM5 P08912 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL5515765 1.00 PPARD (0.58) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5517534 0.85 PPARD (0.79) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5516731 0.84 PPARD (0.64) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL3917956 0.80 PPARA (0.52) PPARDPPARAPPARGFFAR1
SCHEMBL3917946 0.80 PPARA (0.52) PPARDPPARAPPARGFFAR1
SCHEMBL6243594 0.77 PPARD (0.75) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5526130 0.77 PPARD (0.66) PPARDPPARAPPARGFFAR1
SCHEMBL14571496 0.77 PPARA (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL5508404 0.77 PPARD (0.82) PPARDPPARAPPARGFFAR1
SCHEMBL5850587 0.77 PPARA (0.49) PPARDPPARAPPARGFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed