SCHEMBL876782

SCHEMBL876782

CCC(CC)P(=O)(O)CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.42
FDPS P14324 6/20 0.36
MMP2 P08253 3/20 0.36
MMP1 P03956 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP1 P53582 2/20 0.34
MMP3 P08254 1/20 0.34
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 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
SCHEMBL5030278 0.85 FDPS (0.46) LAP3FDPSMMP2MMP1CA2
SCHEMBL16163200 0.83 GABBR2 (0.35) LAP3FDPSMMP2MMP1CA2
SCHEMBL339100 0.81 FOLH1 (0.38) LAP3MMP2MMP1CA2CA12
SCHEMBL19455883 0.78 FDPS (0.39) LAP3FDPSMETAP1
SCHEMBL17488968 0.76 LAP3 (0.37) LAP3FDPSMMP2MMP1CA2
SCHEMBL316162 0.75
SCHEMBL19455938 0.75 LAP3 (0.46) LAP3FDPSMMP2MMP1CA2
SCHEMBL2486751 0.74
SCHEMBL2491379 0.73
SCHEMBL20606615 0.72 FDPS (0.44) LAP3FDPSMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017176679-A1 DNA SEQUENCING BY SYNTHESIS WITH NUCLEOTIDE ANALOGUES AND RAMAN DETECTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-12 WO disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed