SCHEMBL7288239

SCHEMBL7288239

[O]CNCC(O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
AOC3 Q16853 3/20 0.59
BCAT2 O15382 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.50
ADRB2 P07550 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
PLA2G1B P04054 1/20 0.49
POLB P06746 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL4408535 0.87 KDM4E (1.00) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL7532494 0.87 KDM4E (1.00) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
Acetic Acid SCHEMBL8948216 0.82 KDM4E (0.80) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL7288245 0.81 KDM4E (0.79) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL9332764 0.79 KDM4E (0.76) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL2011932 0.79 KDM4E (0.76) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL1738957 0.79 KDM4E (0.76) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL2016180 0.79 KDM4E (0.76) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL10611145 0.78 KDM4E (0.68) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2
SCHEMBL7298568 0.78 KDM4E (0.61) KDM4EL3MBTL1AOC3BCAT2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed