SCHEMBL1722728

SCHEMBL1722728

O=C(O)NCCC(O)c1cc(S(=O)(=O)CC2CCCCC2)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1710630 0.88 KMT2A (0.35) CA2KMT2AMEN1MAPTTDP1
SCHEMBL1710478 0.85 SERPINE1 (0.35) CA2MMP2SERPINE1
SCHEMBL3388591 0.85 CA1 (0.39) CA2KMT2AMEN1CTSK
SCHEMBL1710768 0.77 EPHX2 (0.36) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL3385740 0.75 ACACB (0.38) CA2
SCHEMBL1722776 0.74 ADRA2C (0.38) CA2MAPTHTT
SCHEMBL1710552 0.74 POLB (0.36) KMT2AMEN1POLBRAB9A
SCHEMBL16031069 0.73 AGTR2 (0.36)
SCHEMBL16031752 0.72 SMN1; SMN2 (0.39) KMT2AMEN1MAPTNPC1HTT
SCHEMBL16031070 0.72 CNR2 (0.38) POLB

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-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed