SCHEMBL4602971

SCHEMBL4602971

COCCOc1ccc(CCCS(=O)(=O)NCc2ccccn2)c(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
DUT P33316 2/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 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
SCHEMBL4600676 0.92 PPARG (0.44) PPARGALDH1A1LMNA
SCHEMBL4600790 0.87 PPARG (0.40) PPARGALDH1A1GAASMN1; SMN2LMNA
SCHEMBL27737138 0.85 PPARG (0.44) PPARGALDH1A1GAASMN1; SMN2LMNA
SCHEMBL4602019 0.84 PPARG (0.45) PPARGALDH1A1HTTDUTKMT2A
SCHEMBL4601397 0.83 PPARG (0.41) PPARGDUT
SCHEMBL4634146 0.82 PPARG (0.46) PPARGDUT
SCHEMBL4602137 0.81 PPARG (0.41) PPARGPOLB
SCHEMBL4602607 0.79 PPARG (0.43) PPARG
SCHEMBL4601653 0.77 PPARG (0.71) PPARGALDH1A1SMN1; SMN2LMNA
SCHEMBL27737206 0.75 PPARG (0.41) PPARGALDH1A1SMN1; SMN2LMNAHTT

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed