SCHEMBL9213624

SCHEMBL9213624

N#Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.61
CA1 P00915 4/20 0.61
FOLH1 Q04609 7/20 0.56
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
DHFR P00374 2/20 0.48
RIMKLA Q8IXN7 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47

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
SCHEMBL17981373 0.92 CA2 (0.52) CA2CA1FOLH1CA12CA9
SCHEMBL20546267 0.92 CA2 (0.52) CA2CA1FOLH1CA12CA9
SCHEMBL27564186 0.88 CA2 (0.75) CA2CA1FOLH1CA12CA9
SCHEMBL5508045 0.86 CA2 (0.61) CA2CA1FOLH1CA12CA9
SCHEMBL15905507 0.86 CA2 (0.61) CA2CA1FOLH1CA12CA9
SCHEMBL27517270 0.86 MEN1 (0.55) CA2CA1FOLH1CA12CA9
SCHEMBL17981439 0.83 MEN1 (0.49) CA2CA1FOLH1MEN1KMT2A
SCHEMBL20546624 0.83 MEN1 (0.49) CA2CA1FOLH1MEN1KMT2A
Water SCHEMBL11503927 0.82 CA2 (0.64) CA2CA1FOLH1CA12CA9
SCHEMBL715646 0.82 CA2 (0.67) CA2CA1FOLH1CA12CA9

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
WO-1995009845-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1995-04-13 WO disclosed