SCHEMBL8679705

SCHEMBL8679705

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 17/20 0.67
SLC1A1 P43005 17/20 0.67
SLC1A3 P43003 15/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL8678571 0.99 SLC1A2 (0.65) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL8678574 0.89 SLC1A2 (0.67) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7106222 0.81 SLC1A2 (1.00) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2819522 0.81 SLC1A2 (1.00) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL7106220 0.81 SLC1A2 (1.00) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2819524 0.81 SLC1A2 (1.00) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL418322 0.75 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL852209 0.75 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL1953602 0.75 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL8678399 0.74 PPARA (0.47) SLC1A2SLC1A1SLC1A3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763408-A TUMOR METASTASIS INHIBITORS FUJI PHOTO FILM CO., LTD. (JP) 1998-06-09 US disclosed
EP-0644181-B1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO LTD (JP) 1996-09-04 EP disclosed
EP-0644181-A1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO., LTD. (JP) 1995-03-22 EP disclosed