SCHEMBL8089258

SCHEMBL8089258

CC(=O)On1cc(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.44
FABP4 P15090 2/20 0.42
CREBBP Q92793 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
KDM4E B2RXH2 5/20 0.40
NQO2 P16083 1/20 0.40
BRPF1 P55201 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
HTT P42858 2/20 0.39
NR4A2 P43354 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27559450 0.87 MEN1 (0.51) MEN1KMT2APOLBFABP4CREBBP
SCHEMBL1716468 0.84 POLB (0.43) MEN1KMT2APOLBCREBBPKDM4E
SCHEMBL28576274 0.83 POLB (0.42) MEN1KMT2APOLBCREBBPKDM4E
SCHEMBL27807548 0.83 POLB (0.42) MEN1KMT2APOLBCREBBPKDM4E
SCHEMBL8089254 0.83 POLB (0.42) MEN1KMT2APOLBCREBBPKDM4E
SCHEMBL1829917 0.80 ALDH1A1 (0.54) MEN1KMT2APOLBKDM4EHTT
Sulfuric Acid SCHEMBL17028780 0.79 POLB (0.39) MEN1KMT2APOLBCREBBPKDM4E
SCHEMBL29258027 0.78 MEN1 (0.47) MEN1KMT2APOLBFABP4CREBBP
SCHEMBL25345505 0.77 HTR2A (0.55) MEN1KMT2AHTR6
SCHEMBL788705 0.75 MEN1 (0.45) MEN1KMT2AFABP4KDM4ENQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed