SCHEMBL13508367

SCHEMBL13508367

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
PPARD Q03181 10/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR Q13258 1/20 0.36

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
SCHEMBL3690140 1.00 PTGDR2 (0.43) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL3690133 0.91 PPARD (0.46) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL13508255 0.91 PPARD (0.46) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL13508266 0.89 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL3679163 0.89 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL14339036 0.89 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL14338922 0.88 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL13508273 0.88 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL3693445 0.88 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL14338979 0.88 PTGDR2 (0.41) PTGDR2PPARDPPARAPPARGPTPN1

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