SCHEMBL7967798

SCHEMBL7967798

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 6/20 0.51
SLC1A3 P43003 5/20 0.51
SLC1A2 P43004 5/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
PSMB5 P28074 1/20 0.41
PARP10 Q53GL7 1/20 0.38
SRR Q9GZT4 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 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
SCHEMBL7789787 1.00 SLC1A1 (0.51) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL7977999 0.81 SLC1A3 (0.60) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL7784358 0.79 SLC1A3 (0.51) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL7792911 0.77 SLC1A3 (0.51) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL28794235 0.76 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL2037092 0.76 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL7900106 0.76 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
Ammonia Solution, Strong SCHEMBL4867826 0.75 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL3653035 0.75 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL6167905 0.74 PPARG (0.54) SLC1A1SLC1A3SLC1A2MEN1CYP1A2

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-6291687-B1 USED ASPARTYL PROTEASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) MEDIVIR AB (SE) 2001-09-18 US disclosed