SCHEMBL11407232

SCHEMBL11407232

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
KMT2A Q03164 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
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL3528417 0.82 ALDH1A1 (0.50) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL17878731 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL216743 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL11310409 0.79 SLC1A1 (0.54) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL216744 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL8232952 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL14908325 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL12053128 0.79 ALDH1A1 (0.55) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL7653627 0.78 SLC1A1 (0.62) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL383650 0.78 SLC1A1 (0.62) LTA4HLAP3SLC1A3SLC1A2SLC1A1

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
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 US disclosed