SCHEMBL8089254

SCHEMBL8089254

[CH2]c1cn(OC(C)=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NR4A2 P43354 3/20 0.38
CREBBP Q92793 2/20 0.38
BRPF1 P55201 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KAT2B Q92831 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL8089258 0.83 MEN1 (0.50) POLBKMT2AMEN1NR4A2CREBBP
SCHEMBL1716468 0.81 POLB (0.43) POLBKMT2AMEN1NR4A2CREBBP
SCHEMBL28576274 0.80 POLB (0.42) POLBKMT2AMEN1NR4A2CREBBP
SCHEMBL27807548 0.80 POLB (0.42) POLBKMT2AMEN1NR4A2CREBBP
SCHEMBL1829917 0.78 ALDH1A1 (0.54) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL788704 0.77 GPR3 (0.37) KMT2AMEN1NR4A2KDM4EALDH1A1
Sulfuric Acid SCHEMBL17028780 0.76 POLB (0.39) POLBKMT2AMEN1NR4A2CREBBP
SCHEMBL887129 0.75 HTT (0.54) POLBKMT2AMEN1CREBBPBRPF1
SCHEMBL25345505 0.74 HTR2A (0.55) KMT2AMEN1
SCHEMBL8076272 0.71 KMT2A (0.67) POLBKMT2AMEN1NR4A2KDM4E

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