SCHEMBL13508587

SCHEMBL13508587

CCCN(CCCc1ccc(CCC(=O)OC)cc1)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
KCNH2 Q12809 1/20 0.39
PPARD Q03181 1/20 0.39
SOAT1 P35610 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3689701 0.88 LMNA (0.45) PPARGPPARAPPARDLMNAPKM
SCHEMBL13508485 0.81 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL2723440 0.71 CYP11B1 (0.57) CA12CA2CA7CA9CA14
SCHEMBL26239833 0.69 ALDH1A1 (0.55)
SCHEMBL13508546 0.69 BMP1 (0.56) CA12CA2CA9
SCHEMBL26239854 0.68 ALDH1A1 (0.56) LMNAKDM4E
SCHEMBL6076198 0.68 CA12 (0.54) LMNACA12CA2CA7CA9
SCHEMBL3689003 0.68 CMA1 (0.42)
SCHEMBL1841248 0.67 CYP11B1 (0.53) CA12CA2CA7CA9CA14
SCHEMBL27357681 0.67 FAAH (0.55) LMNAKDM4EMEN1KMT2A

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