Sugi Predict

Sugi Predict / Compounds / SCHEMBL3364943

SCHEMBL3364943

SCHEMBL3364943

CC(C)(C)c1ccc(S(=O)(=O)n2c(OC(=O)O)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.49
▸ PPARA Q07869 7/20 0.49
▸ PPARD Q03181 6/20 0.47
▸ ACLY P53396 8/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL3364801 0.90 PPARG (0.46) PPARGPPARAPPARDACLYFLT1
SCHEMBL3363385 0.85 NOD2 (0.46) PPARGPPARA
SCHEMBL6964749 0.84 CCR2 (0.52) PPARGPPARAPPARDACLYFLT1
SCHEMBL3137788 0.83 ACLY (0.63) PPARGPPARAPPARDACLYFLT1
SCHEMBL6959902 0.82 PPARG (0.53) PPARGPPARAPPARDACLYMEN1
SCHEMBL3146521 0.80 ACLY (0.50) PPARGPPARAPPARDACLYFLT1
SCHEMBL3523012 0.78 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL3141535 0.78 NOD2 (0.69) PPARGPPARAPPARDACLYFLT1
SCHEMBL3136323 0.76 PPARG (0.44) PPARGPPARAPPARDACLYFLT1
SCHEMBL3528626 0.76 PPARG (0.60) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 — — EP claimed