SCHEMBL3103071

SCHEMBL3103071

O=C(O)[C@@H]1CCCN1C(=O)NCP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.60
MVD P53602 2/20 0.48
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGA4 P13612 1/20 0.44
REN P00797 4/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4728479 0.79 THRB (0.49) ACETHRBALOX12KMT2AITGB3
SCHEMBL6407009 0.79 ACE (0.60) ACETHRBALOX12KMT2AITGB3
SCHEMBL9728258 0.79 ACE (0.53) ACETHRBALOX12KMT2AITGB3
SCHEMBL17285637 0.76 ACE (0.51) ACETHRBALOX12KMT2AITGB3
SCHEMBL11303640 0.76 ACE (1.00) ACEMVDRENLMNAHSD17B10
SCHEMBL4902901 0.75 RAB9A (0.56) ACEITGB3ITGB1ITGAVITGA5
SCHEMBL2422749 0.74 ACE (0.48) ACETHRBALOX12KMT2AITGB3
SCHEMBL2422744 0.74 ACE (0.48) ACETHRBALOX12KMT2AITGB3
SCHEMBL17285592 0.74 ACE (0.48) ACETHRBALOX12KMT2AITGB3
SCHEMBL11304977 0.73 ACE (1.00) ACEMVDREN

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed