SCHEMBL7106567

SCHEMBL7106567

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.46
ACE P12821 3/20 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
CTSC P53634 4/20 0.45
CYP1A2 P05177 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3177171 0.85 ACE (0.47) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10934223 0.83 MME (0.44) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7653249 0.81 PPID (0.51) ALDH1A1CTSCPKM
SCHEMBL7653248 0.81 PPID (0.51) ALDH1A1CTSCPKM
SCHEMBL8340029 0.79 SIGMAR1 (0.56) MEN1KMT2ACTSCCYP1A2NPC1
SCHEMBL4314476 0.79 SIGMAR1 (0.56) MEN1KMT2ACTSCCYP1A2NPC1
SCHEMBL1529264 0.78 CTSC (0.46) MMECTSCCYP1A2CPA1CPA3
SCHEMBL10509611 0.78 MME (0.53) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9340320 0.77 NAALAD2 (0.54) MMECYP1A2
SCHEMBL6575569 0.77 LAP3 (0.53) MMEECE1CTSC

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