SCHEMBL4355152

SCHEMBL4355152

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4O)CC2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 2/20 0.36
USP30 Q70CQ3 1/20 0.36
PIK3CA P42336 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A9 P48067 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1B Q00975 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4355488 0.90 ALDH1A1 (0.35) ALDH1A1USP30PIK3CACA1CA2
SCHEMBL4537918 0.88 PTPN2 (0.43) ALDH1A1PIK3CACA1CA2CA9
SCHEMBL4356473 0.88 PTPN2 (0.43) ALDH1A1PIK3CACA1CA2CA9
SCHEMBL4349922 0.88 PTPN2 (0.43) ALDH1A1PIK3CACA1CA2CA9
SCHEMBL4355702 0.86 PIK3CA (0.37) CHRM2USP30PIK3CA
SCHEMBL4347925 0.85 USP30 (0.40) USP30PIK3CA
SCHEMBL4347963 0.84 NPC1 (0.46) MGLLALDH1A1PIK3CACA1CA2
SCHEMBL4356151 0.84 GAA (0.42) PIK3CASMN1; SMN2
SCHEMBL4353464 0.84 CYP3A4 (0.37) ALDH1A1USP30SMN1; SMN2
SCHEMBL4353473 0.84 PTPN2 (0.47) ALDH1A1CA1CA2CA9SMN1; SMN2

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed