SCHEMBL9841920

SCHEMBL9841920

C[C@H](OCc1ccccc1)[C@@H](N)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 2/20 0.41
SYK P43405 1/20 0.40
SLC15A1 P46059 1/20 0.40
RCE1 Q9Y256 1/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC7A5 Q01650 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.36

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
SCHEMBL7059168 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL20400849 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL20400850 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL5196443 0.81 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL19853299 0.81 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL19853461 0.81 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL5196444 0.81 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17137963 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11036090 0.80 KMT2A (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11040528 0.80 KMT2A (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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
EP-0454302-A2 Tuftsin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-30 EP disclosed