SCHEMBL6202921

SCHEMBL6202921

COC1CN[C@H](C(=O)OC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.37
NR1H4 Q96RI1 5/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP1 Q9C000 1/20 0.33
P2RX7 Q99572 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2J2 P51589 1/20 0.33
CTSC P53634 1/20 0.33
ALOX15 P16050 1/20 0.32
REN P00797 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PPARG P37231 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
SCHEMBL6203143 0.76 AVPR2 (0.59)
SCHEMBL6203853 0.74 AVPR2 (0.50) EPHX2NR1H4ALDH1A1P2RX7CYP2C9
SCHEMBL12231188 0.74 EPHX2 (0.50) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL6202917 0.72 AVPR2 (0.48) EPHX2NR1H4ALDH1A1P2RX7CYP2C9
SCHEMBL6202207 0.72 AVPR2 (0.48) EPHX2NR1H4ALDH1A1P2RX7CYP2C9
SCHEMBL6202923 0.71 EPHX2 (0.37) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL1346036 0.68 EPHX2 (0.64) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL13780329 0.67 EPHX2 (0.50) EPHX2NR1H4ALDH1A1LMNAMAPK1
SCHEMBL25930148 0.67 CTSC (0.36) MAPK1CTSC
SCHEMBL7270417 0.67 CTSC (0.36) MAPK1CTSC

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