SCHEMBL3090770

SCHEMBL3090770

CCOP(=O)(CN[C@@H](Cc1ccc(O)cc1)C(N)=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.44
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
FPR2 P25090 1/20 0.41
LNPEP Q9UIQ6 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
FOLH1 Q04609 1/20 0.38
HPGDS O60760 1/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SCN9A Q15858 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL3087564 0.88 FOLH1 (0.47) ACECA1CA12CA9ESR1
SCHEMBL3098284 0.88 FPR2 (0.52) CA1CA12CA9FPR2LNPEP
SCHEMBL3103180 0.81 PTPN2 (0.47) ACECA1CA12CA9LNPEP
SCHEMBL3103171 0.81 PTPN2 (0.47) ACECA1CA12CA9LNPEP
SCHEMBL13910050 0.79 ACE (0.52) ACECA1CA12CA9FOLH1
SCHEMBL16217893 0.79 ACE (0.52) ACECA1CA12CA9FOLH1
SCHEMBL3103119 0.77 FPR2 (0.54) ACEFPR2MMECPA1ACE2
SCHEMBL3102568 0.77 FPR2 (0.43) FPR2LNPEPERAP2ERAP1
SCHEMBL3103505 0.76 PPARD (0.40) CA1CA12CA9FPR2CA2
SCHEMBL3097947 0.75 TSHR (0.35) CA1CA12CA9FPR2CA2

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