Sugi Predict

Sugi Predict / Compounds / SCHEMBL6624441

SCHEMBL6624441

SCHEMBL6624441

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)O)c[nH]c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)O)cn(C)c2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 14/20 0.62
▸ PPARA Q07869 9/20 0.62
▸ PPARG P37231 6/20 0.58
▸ FFAR1 O14842 10/20 0.53
▸ CHRM5 P08912 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL5861969 0.93 PPARD (0.71) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5859790 0.92 PPARD (0.72) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6489229 0.86 PPARD (0.70) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6052592 0.84 PPARD (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL6052620 0.83 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL6052637 0.81 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL4469084 0.80 PPARD (0.54) PPARDPPARAPPARGFFAR1
SCHEMBL6221307 0.79 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL5017180 0.79 PPARD (0.60) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6218546 0.78 PPARD (0.59) 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
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 — — EP disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 — — WO disclosed