SCHEMBL1582334

SCHEMBL1582334

C[C@H](NC(=O)CN)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.41
ANPEP P15144 4/20 0.34
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1582657 0.98 CTSC (0.40) CTSCANPEPMMP1MMP2MMP3
SCHEMBL1582304 0.89 CTSC (0.34) CTSCANPEP
SCHEMBL1582592 0.87 CTSC (0.46) CTSCANPEPMMP1MMP2MMP3
SCHEMBL11307612 0.81 ANPEP (0.32) ANPEPMMP1MMP2MMP3CA12
SCHEMBL11296860 0.79 ANPEP (0.32) ANPEPMMP1MMP2MMP3
SCHEMBL11297087 0.79 METAP1 (0.38) CTSCCA2
SCHEMBL11299128 0.78 DPP4 (0.42) ANPEPMMP1MMP2CA12CA1
SCHEMBL18919534 0.78 DPP4 (0.42) ANPEPMMP1MMP2CA12CA1
SCHEMBL1582242 0.78 DPP4 (0.42) ANPEPMMP1MMP2CA12CA1
SCHEMBL1582769 0.78 DPP4 (0.42) ANPEPMMP1MMP2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325024-B1 SELECTIVE GROWTH MEDIA NEWCASTLE UPON TYNE HOSPITALS NAT HEALTH SERVICE TRUST (GB) 2011-04-20 EP disclosed
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed
US-4134972-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1979-01-16 US disclosed
US-4127649-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-11-28 US disclosed
US-4100275-A PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed