SCHEMBL27733787

SCHEMBL27733787

CC(C(=O)O)c1cc2cc(C(=O)c3ccccc3)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
PTGS1 P23219 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
RECQL P46063 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCL8 P10145 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC3 O15379 4/20 0.45

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
SCHEMBL27713301 0.89 ACLY (0.43) SMN1; SMN2ALDH1A1MAPTRECQLHPGD
SCHEMBL27713335 0.84 PPARG (0.58) ALDH1A1RECQLHPGDHSD17B10ACLY
SCHEMBL27733700 0.83 RECQL (0.56) ALDH1A1MAPTRECQLHPGDLMNA
SCHEMBL27713493 0.83 PPARG (0.43) ALDH1A1MAPTRECQLLMNAHDAC3
SCHEMBL27733864 0.83 PPARG (0.59) RECQLACLYPPARGPPARAPPARD
SCHEMBL27713452 0.82 PPARG (0.58) RECQLACLYPPARGPPARAPPARD
SCHEMBL27733789 0.80 PPARG (0.59) MAPTRECQLPPARGPPARAPPARD
SCHEMBL27733713 0.77 PPARG (0.46) RECQLHDAC3HDAC4HDAC1HDAC7
SCHEMBL27713297 0.77 PPARG (0.50) ACLYPPARGPPARAPPARD
SCHEMBL27713308 0.75 PPARG (0.40) ALDH1A1RECQLHPGDKDM4ECYP3A4

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-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed