SCHEMBL13508352

SCHEMBL13508352

CCOC(=O)COc1ccc(S[C@H](CC)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 4/20 0.42
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 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
SCHEMBL3686617 1.00 PPARD (0.45) PPARDSMN1; SMN2POLBALDH1A1TSHR
SCHEMBL3690248 0.91 PPARD (0.54) PPARD
SCHEMBL13508349 0.91 PPARD (0.54) PPARD
SCHEMBL3683311 0.83 PPARD (0.42) PPARDALDH1A1ESR1GAANPSR1
SCHEMBL3683315 0.83 PPARD (0.42) PPARDALDH1A1ESR1GAANPSR1
SCHEMBL3680749 0.80 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL13508351 0.80 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL13508360 0.78 LMNA (0.50) PPARDSMN1; SMN2POLBALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL3682937 0.75 PPARD (0.44) PPARD
SCHEMBL3681587 0.74 PPARD (0.42) PPARDSMN1; SMN2POLBALDH1A1ESR1

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed