SCHEMBL7106570

SCHEMBL7106570

O=C[C@@H](Cc1ccccc1)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54
CAPN1 P07384 5/20 0.51
CTSB P07858 2/20 0.47
MME P08473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ECE1 P42892 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL13259029 0.85 PPARG (0.42) ACECAPN1MMEALDH1A1MEN1
SCHEMBL13259262 0.82 ACE (0.50) ACECAPN1CTSBCTSLCTSK
SCHEMBL7653252 0.81 PPID (0.51) ACECTSBCTSLCTSK
SCHEMBL24288430 0.80 SIGMAR1 (0.53) ACECAPN1CTSBMEN1KMT2A
SCHEMBL5028604 0.80 SIGMAR1 (0.53) ACECAPN1CTSBMEN1KMT2A
SCHEMBL19287255 0.79 ATM (0.47) ACECAPN1CTSBMAPTCTSL
SCHEMBL17865652 0.79 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL2369340 0.79 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL16944013 0.79 ACE (0.49) ACECAPN1CTSBMEN1KMT2A
SCHEMBL12468722 0.79 SIGMAR1 (0.56) ACECAPN1CTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749316-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-04-21 EP claimed
US-5599793-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-04 US claimed
EP-0749316-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-27 EP claimed
WO-1995023608-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed
CN-100491348-C Thrombosis resisting preparation ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
CN-1515550-A Thrombosis resisting preparation 2004-07-28 CN disclosed
CN-1134264-C antithrombotic agent 2004-01-14 CN disclosed
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP disclosed
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
US-5914319-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1999-06-22 US disclosed
EP-0749316-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-04-21 EP disclosed
US-5710130-A HETEROCYCLIC SYNTHETIC PEPTIDES ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5705487-A PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN disclosed
US-5599793-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-04 US disclosed
EP-0749316-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023608-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed