SCHEMBL2228990

SCHEMBL2228990

COc1ccc2ccc(OCC3CCN(C(=O)OCc4cscn4)C3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ENPP2 Q13822 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 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
SCHEMBL2228470 0.98 MMP2 (0.47) MMP2MMP9GRIN2BKDM4EALDH1A1
SCHEMBL2228696 0.93 MMP2 (0.48) MMP2MMP9GRIN2BKDM4ENPC1
SCHEMBL2227253 0.89 MMP2 (0.43) MMP2MMP9GRIN2B
SCHEMBL2229024 0.88 GRIN2B (0.42) MMP2MMP9GRIN2BKDM4EALDH1A1
SCHEMBL2229360 0.88 MMP2 (0.43) MMP2MMP9GRIN2B
SCHEMBL2227230 0.86 GRIN2B (0.44) MMP2MMP9GRIN2BKDM4EALDH1A1
SCHEMBL2228689 0.85 MMP2 (0.43) MMP2MMP9GRIN2BENPP2MEN1
SCHEMBL2229023 0.84 MMP2 (0.45) MMP2MMP9GRIN2BKDM4EENPP2
SCHEMBL2228670 0.84 MMP2 (0.45) MMP2MMP9GRIN2BKDM4E
SCHEMBL2362512 0.81 MMP2 (0.43) MMP2MMP9GRIN2BMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed