SCHEMBL1534441

SCHEMBL1534441

CC(=O)NC(C)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.42
CA2 P00918 5/20 0.42
MMP1 P03956 4/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
MMP8 P22894 3/20 0.42
MMP9 P14780 1/20 0.42
ALDH1A1 P00352 1/20 0.37
MMP3 P08254 1/20 0.37
ANPEP P15144 3/20 0.35
LAP3 P28838 3/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL9797577 1.00 MMP2 (0.42) MMP2CA2MMP1CA12CA1
SCHEMBL19988192 0.79 MMP2 (0.42) MMP2CA2MMP1CA12CA1
SCHEMBL17109076 0.77 MMP2 (0.41) MMP2CA2MMP1CA12CA1
SCHEMBL976101 0.77 TGFBR1 (0.42) MMP2CA2MMP1CA12CA1
SCHEMBL8336668 0.76 CA12 (0.42) MMP2CA2MMP1CA12CA1
SCHEMBL9797754 0.75 MMP2 (0.39) MMP2CA2MMP1CA12CA1
SCHEMBL10424417 0.75 MMP1 (0.39) MMP2CA2MMP1CA12CA1
SCHEMBL12942521 0.73 MMP1 (0.38) MMP2CA2MMP1CA12CA1
Alafosfalin SCHEMBL456724 0.73 DPP4 (0.48) MMP2CA2MMP1CA12CA1
Alafosfalin SCHEMBL11032329 0.73 DPP4 (0.48) MMP2CA2MMP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038158-A2 METHODS, COMPOSITIONS, SYSTEMS AND APPARATUS FOR MOLECULAR ARRAY FABRICATION Life Technologies Corporation (US) 2011-03-31 WO disclosed
EP-0176068-B1 PROCESS FOR THE PREPARATION OF THE STEREOISOMERS OF 1-AMINO-ALKYLPHOSPHONIC OR 1-AMINO-ALKYLPHOSPHINIC ACIDS Roche Diagnostics GmbH (DE) 1991-03-06 EP disclosed
US-4859602-A ENZYMATIC RESOLUTION USING PENICILLIN AMIDASE BOEHRINGER MANNHEIM GMBH (DE) 1989-08-22 US disclosed
EP-0176068-A2 Process for the preparation of the stereoisomers of 1-amino-alkylphosphonic or 1-amino-alkylphosphinic acids Roche Diagnostics GmbH (DE) 1986-04-02 EP disclosed