SCHEMBL7420915

SCHEMBL7420915

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.44
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SRR Q9GZT4 2/20 0.37
ALDH1A1 P00352 3/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10686536 0.87 CYP1A2 (0.43) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7415908 0.86 EPOR (0.45) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL16166282 0.85 SLC1A3 (0.41) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8687105 0.85 EPOR (0.44) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL6955548 0.83 FOLH1 (0.46) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL27530431 0.83 CTSB (0.44) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7417141 0.82 SLC7A5 (0.42) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7515528 0.82 SLC1A3 (0.38) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7354777 0.82 MAOB (0.40) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL10873777 0.81 SLC1A1 (0.45) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821241-A INHIBIT BINDING OF FIBRINOGEN TO BLOOD PLATELETS, INHIBIT AGGREGATION OF BLOOD PLATELETS, PREVENT OR TREAT THROMBUS OR EMBOLUS FORMATION MERCK & CO., INC. (US) 1998-10-13 US disclosed
EP-0684823-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1997-07-09 EP disclosed
EP-0684823-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-12-06 EP disclosed
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed