SCHEMBL7360753

SCHEMBL7360753

COc1ccc(CNCC(O)CCCCO)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
STAT3 P40763 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 4/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 2/20 0.44
LMNA P02545 2/20 0.43
ADRB2 P07550 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
OXTR P30559 1/20 0.43

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
SCHEMBL7360751 0.88 MEN1 (0.53) KDM4EPOLBKMT2AMEN1STAT3
SCHEMBL2919063 0.81 KMT2A (0.59) KDM4EPOLBKMT2AMEN1STAT3
SCHEMBL7288681 0.81 DNM1 (0.58) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL9672348 0.79 KDM4E (1.00) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL6991909 0.75 KDM4E (0.82) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL29484286 0.74 KDM4E (0.69) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL1599701 0.74 KDM4E (0.69) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2236986 0.74 MEN1 (0.66) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL7296281 0.74 DNM1 (0.50) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL9590684 0.73 ADRB2 (0.76) KDM4EPOLBKMT2AMEN1ALDH1A1

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 6 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
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