SCHEMBL8530795

SCHEMBL8530795

COP(=O)(OC)n1cc(C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
HTR6 P50406 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
SLC6A2 P23975 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
FABP4 P15090 1/20 0.35
MAPT P10636 3/20 0.35
NR4A2 P43354 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ENPP1 P22413 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8532912 0.82 MEN1 (0.39) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL8530790 0.81 KMT2A (0.36) MEN1KMT2AKDM4EMAPTNR4A2
SCHEMBL8527733 0.79 MEN1 (0.44) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL24877353 0.73 HTR6 (0.54) HTR6HDAC1HDAC8HDAC6
SCHEMBL8527751 0.72 MEN1 (0.49) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL788705 0.70 MEN1 (0.45) MEN1KMT2AKDM4ENQO2HTR6
Hydrochloric Acid SCHEMBL3247223 0.68 MEN1 (0.44) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL28670259 0.66 MEN1 (0.45) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL8076273 0.66 KMT2A (0.67) MEN1KMT2AKDM4EHDAC1HDAC2
SCHEMBL4604002 0.66 CNR2 (0.55) MEN1KMT2AHDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed