SCHEMBL7400596

SCHEMBL7400596

COc1ccc(COC(=O)NC[C@H](O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.55
LDHA P00338 1/20 0.49
KMT2A Q03164 4/20 0.48
GLA P06280 1/20 0.48
MIF P14174 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11148163 1.00 ATM (0.57) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL7381205 1.00 ATM (0.57) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL5519612 0.86 ATM (0.55) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL5519606 0.86 ATM (0.55) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL4891761 0.86 ATM (0.57) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL4891760 0.86 ATM (0.57) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL11147827 0.84 ATM (0.53) ATMALDH1A1LDHAKMT2AGLA
SCHEMBL3701587 0.84 LMNA (0.58) KMT2ALMNACA1CA2CTSL
SCHEMBL2646824 0.84 LMNA (0.58) KMT2ALMNACA1CA2CTSL
SCHEMBL2142734 0.84 LMNA (0.58) KMT2ALMNACA1CA2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219886-A Cardiovascular disorders, analgesics, enzyme inhibitors SCHERING CORPORATION (US) 1993-06-15 US disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 EP disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
EP-0393441-A1 Mercapto-acylamino acids SCHERING CORPORATION (US) 1990-10-24 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 WO disclosed
US-4296242-A Process for the preparation of chiral 3-amino-2-hydroxypropionic acid and N-blocked derivatives thereof SCHERING CORPORATION (US) 1981-10-20 US disclosed