SCHEMBL3629699

SCHEMBL3629699

O=P(O)(O)C(CNC(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.41
ANPEP P15144 3/20 0.36
CA12 O43570 4/20 0.33
MMP2 P08253 3/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA9 Q16790 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 2/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL8675602 0.79 FDPS (0.42) FDPSANPEPCA12MMP2CA9
SCHEMBL10980756 0.78 ANPEP (0.36) ANPEPCA12MMP2KDM4ETHRB
SCHEMBL8764339 0.74 FDPS (0.44) FDPSANPEPMMP2KDM4ETHRB
SCHEMBL8761864 0.74 FDPS (0.48) FDPSANPEPCA12MMP2KDM4E
SCHEMBL11666628 0.74 ANPEP (0.39) FDPSANPEPCA12CA1MMP8
SCHEMBL11657954 0.74 FDPS (0.38) FDPSANPEPMMP8
SCHEMBL731378 0.73 MMP2 (0.39) ANPEPCA12MMP2KDM4ETHRB
SCHEMBL11056866 0.72 ANPEP (0.58) FDPSANPEP
SCHEMBL9711421 0.70 CA1 (0.33) ANPEPCA9CA1CA2
SCHEMBL11699720 0.70 FDPS (0.39) FDPSANPEPCA12MMP2KDM4E

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
US-7662991-B2 Process for the manufacture of aminoalkylenephosphonic acid compounds in the presence of a heterogeneous catalyst THERMPHOS TRADING GMBH (CH) 2010-02-16 US disclosed
US-20080071112-A1 Process for the Manufacture of Aminoalkylenephosphonic Acid Compounds in the Presence of a Heterogeneous Catalyst THERMPHOS TRADING GMBH (CH) 2008-03-20 US disclosed
EP-1681295-A1 Process for the manufacture of aminoakylenephosphonic acid compounds in the presence of a heterogeneous catalyst Solutia Europe N.V./S.A. (BE) 2006-07-19 EP disclosed