SCHEMBL7380230

SCHEMBL7380230

COC(=O)C[C@@H](NC1CCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TGFBR1 P36897 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL7525610 0.85 LMNA (0.35) LMNANPSR1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7412459 0.85 THRB (0.41) LMNAALDH1A1CYP2D6
SCHEMBL7377849 0.85 THRB (0.41) LMNAALDH1A1CYP2D6
SCHEMBL7432656 0.83 EPHX2 (0.42) EPHX2NPSR1SMN1; SMN2CYP2C19CYP2C9
SCHEMBL7432662 0.83 EPHX2 (0.42) EPHX2NPSR1SMN1; SMN2CYP2C19CYP2C9
SCHEMBL7379026 0.82 THRB (0.44) LMNANPSR1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL38057 0.81 EPHX1 (0.40) EPHX2LMNACYP2D6
SCHEMBL38058 0.81 EPHX1 (0.40) EPHX2LMNACYP2D6
SCHEMBL23997566 0.80 EPHX2 (0.44) EPHX2NPSR1
SCHEMBL7432844 0.80 EPHX2 (0.45) EPHX2LMNANPSR1SMN1; SMN2ALDH1A1

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