SCHEMBL11355706

SCHEMBL11355706

NCC(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NR1H4 Q96RI1 3/20 0.56
LTA4H P09960 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
GAA P10253 1/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.53
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
FFAR1 O14842 1/20 0.50
RORC P51449 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10629700 0.84 MAPT (0.62) MEN1KMT2ANR1H4CA1CA2
SCHEMBL10864497 0.83 MEN1 (0.59) MEN1KMT2ANR1H4CA2GAA
SCHEMBL7231673 0.81 GAA (0.61) MEN1KMT2ANR1H4CA1CA2
SCHEMBL9250647 0.81 ALDH1A1 (0.61) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL13290702 0.81 EPHX2 (0.79) MEN1KMT2ANR1H4CA1CA2
SCHEMBL14271185 0.81 NR1H4 (0.60) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL8689095 0.81 MEN1 (0.62) MEN1KMT2ANR1H4GAAPOLB
SCHEMBL19154569 0.81 CA1 (0.58) MEN1KMT2ALTA4HCA1CA2
SCHEMBL13849278 0.81 MEN1 (0.61) MEN1KMT2ANR1H4CA2GAA
SCHEMBL10457090 0.80 MEN1 (0.65) MEN1KMT2ANR1H4CA2GAA

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-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed