SCHEMBL6202923

SCHEMBL6202923

CO[C@@]1(C(=O)OC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2Cl)CCCN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.37
NR1H4 Q96RI1 6/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35
CYP2D6 P10635 5/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
KCNH2 Q12809 1/20 0.34
DDR1 Q08345 1/20 0.33
HSD11B1 P28845 1/20 0.32
STAT3 P40763 1/20 0.32
PPARG P37231 1/20 0.32
USP7 Q93009 1/20 0.32

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
SCHEMBL12231188 0.74 EPHX2 (0.50) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL6202921 0.71 EPHX2 (0.37) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL1346036 0.68 EPHX2 (0.64) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL3594415 0.68
SCHEMBL13780329 0.67 EPHX2 (0.50) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL23832978 0.66 EPHX2 (0.49) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL30193362 0.66 EPHX2 (0.49) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL6950153 0.66 HDAC10 (0.43) LMNA
SCHEMBL507673 0.66 EPHX2 (0.48) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL2480129 0.65 STAT3 (0.41) EPHX2NR1H4LMNASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
EP-1399436-A2 OXYTOCIN AGONISTS Ferring BV (NL) 2004-03-24 EP disclosed
WO-2003000692-A2 OXYTOCIN AGONISTS FERRING BV (NL) 2003-01-03 WO disclosed