SCHEMBL13508366

SCHEMBL13508366

CCCN(C[C@@H](C)Sc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.36
ESR1 P03372 2/20 0.35
ALDH1A1 P00352 4/20 0.35
ADRB3 P13945 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3686363 1.00 MAPT (0.39) MAPTL3MBTL1TSHRESR1ALDH1A1
SCHEMBL13508266 0.92 PTGDR2 (0.42) MAPTL3MBTL1PTGDR2
SCHEMBL3679163 0.92 PTGDR2 (0.42) MAPTL3MBTL1PTGDR2
SCHEMBL5175114 0.86 ALDH1A1 (0.40) MAPTL3MBTL1TSHRESR1ALDH1A1
SCHEMBL13508357 0.86 ESR1 (0.39) MAPTTSHRESR1ALDH1A1GAA
SCHEMBL3690133 0.84 PPARD (0.46) L3MBTL1PTGDR2
SCHEMBL13508255 0.84 PPARD (0.46) L3MBTL1PTGDR2
SCHEMBL14339036 0.82 PTGDR2 (0.42) L3MBTL1PTGDR2
SCHEMBL3693445 0.82 PTGDR2 (0.42) L3MBTL1PTGDR2
SCHEMBL13508273 0.82 PTGDR2 (0.42) L3MBTL1PTGDR2

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