SCHEMBL7415908

SCHEMBL7415908

COC(=O)[C@H](CN)N(C=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.45
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.39
MIF P14174 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8687105 0.99 EPOR (0.44) EPORLTA4HTSHRKMT2AALDH1A1
SCHEMBL7420915 0.86 SLC1A1 (0.44) KMT2AALDH1A1MEN1SLC1A3SLC1A2
SCHEMBL7274451 0.79 MIF (0.45) EPORLTA4HTSHRMIF
SCHEMBL7439694 0.78 MIF (0.37) EPORLTA4HTSHRALDH1A1MIF
SCHEMBL7492299 0.78 MAPK1 (0.39) LTA4HMIF
SCHEMBL7499940 0.78 MAPK1 (0.39) LTA4HMIF
SCHEMBL16166282 0.78 SLC1A3 (0.41) KMT2AALDH1A1MEN1SLC1A3SLC1A2
SCHEMBL6487212 0.77 LMNA (0.44) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL6299671 0.77 ALDH1A1 (0.43) LTA4HKMT2AALDH1A1MEN1SLC1A3
SCHEMBL6298147 0.77 ALDH1A1 (0.43) LTA4HKMT2AALDH1A1MEN1SLC1A3

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
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed