SCHEMBL7412839

SCHEMBL7412839

CCOC(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@H](N)CC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
ALDH1A1 P00352 2/20 0.34
METAP2 P50579 1/20 0.34
OPRD1 P41143 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
PLA2G1B P04054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL7372849 1.00 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1METAP2
SCHEMBL7382436 0.98 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1METAP2
SCHEMBL7372843 0.98 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1METAP2
SCHEMBL7383092 0.87 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL7414748 0.85 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL28912922 0.77 TSHR (0.38) ALDH1A1OPRD1THRBATML3MBTL1
SCHEMBL7381461 0.77 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL17352429 0.73 TSHR (0.35) ALDH1A1OPRD1POLB
SCHEMBL7374132 0.72 DPP4 (0.33) SLC1A3SLC1A2SLC1A1OPRD1KDM4E
SCHEMBL6244065 0.71

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
EP-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 US disclosed
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 WO disclosed