SCHEMBL7360751

SCHEMBL7360751

COc1ccc(CNCC(O)CCCC[O])cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.49
STAT3 P40763 1/20 0.48
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL7360753 0.88 KDM4E (0.64) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL27397581 0.81 STAT3 (0.68) KDM4ESTAT3ADRB2ATMTRPV1
SCHEMBL7288676 0.81 DNM1 (0.57) MEN1KMT2AKDM4EALDH1A1HDAC3
SCHEMBL2919063 0.80 KMT2A (0.59) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL7296276 0.75 BCHE (0.50) KDM4EALDH1A1
SCHEMBL29484286 0.73 KDM4E (0.69) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL1599701 0.73 KDM4E (0.69) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2236986 0.73 MEN1 (0.66) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL11432643 0.73 ADRB2 (0.57) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL11429165 0.72 ADRB2 (0.65) MEN1KMT2AKDM4EALDH1A1ADRB2

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