SCHEMBL27733722

SCHEMBL27733722

CC(=O)N1CCc2cc(C=CCS(=O)(=O)n3c(CCC(=O)O)cc4cc(C(F)(F)F)ccc43)ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
PPARG P37231 9/20 0.44
PPARA Q07869 8/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARD Q03181 7/20 0.42
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TRIM24 O15164 1/20 0.40
PTPN11 Q06124 2/20 0.37
NPY2R P49146 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL27713461 0.95 PPARG (0.50) NOTUMPPARGPPARALMNATSHR
SCHEMBL27733653 0.88 PPARG (0.47) NOTUMPPARGPPARALMNAPPARD
SCHEMBL27713299 0.84 PPARG (0.48) NOTUMPPARGPPARAPPARD
SCHEMBL3527552 0.83 PPARG (0.57) NOTUMPPARGPPARALMNATSHR
SCHEMBL27733822 0.82 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL3523095 0.79 PPARG (0.65) NOTUMPPARGPPARALMNATSHR
SCHEMBL27713773 0.79 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL28775104 0.78 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL27733652 0.77 NOTUM (0.46) NOTUMLMNATSHRHTTSMN1; SMN2
SCHEMBL28775088 0.77 PPARG (0.54) PPARGPPARAPPARD

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