SCHEMBL4777343

SCHEMBL4777343

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
KMT2A Q03164 2/20 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
SMN1; SMN2 Q16637 1/20 0.46
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
LTA4H P09960 3/20 0.44
SLC15A1 P46059 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RCE1 Q9Y256 1/20 0.43
FFAR1 O14842 2/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41

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
SCHEMBL6783786 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4775534 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4778741 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4781062 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8514587 0.84 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL31266312 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6814035 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6818887 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL16103646 0.80 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL16103223 0.80 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP disclosed