SCHEMBL27744766

SCHEMBL27744766

C=CC(N1CC=C(c2ccc(C(F)(F)F)cc2)CC1)S(=O)(=O)c1ccc2c(c1)C(C(=O)O)CC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.34
RORC P51449 7/20 0.33
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAMTS1 Q9UHI8 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
MMP8 P22894 2/20 0.30
MMP3 P08254 2/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MMP2 P08253 1/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL28780820 0.85 EGLN1 (0.35) EGLN1RORCPPARGPPARAMMP8
SCHEMBL27744659 0.84 SLC6A9 (0.41) RORCMMP8MMP3MMP2
SCHEMBL1471107 0.81 EGLN1 (0.49) EGLN1MMP3HDAC6MMP2
SCHEMBL27765610 0.80 SLC6A9 (0.38) RORC
SCHEMBL27765715 0.79 F13A1 (0.44)
SCHEMBL27744707 0.77 NOTUM (0.36) RORCMMP2
SCHEMBL27744761 0.76 F13A1 (0.34) RORC
SCHEMBL27765691 0.75 NOTUM (0.36) RORC
SCHEMBL27744683 0.75 RORC (0.35) RORC
SCHEMBL27744699 0.74 NOTUM (0.44) RORC

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
CN-101421258-B Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYPSYS INC 2013-08-21 CN disclosed
CN-101421258-A Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYSPSYS INC (US) 2009-04-29 CN disclosed