SCHEMBL8083500

SCHEMBL8083500

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8089256 0.92 MEN1 (0.44) BCHEKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6283431 0.87 L3MBTL1 (0.53) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL8083502 0.86 BCHE (0.49) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL28743621 0.85 BCHE (0.48) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL13168856 0.82 L3MBTL1 (0.50) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL28743659 0.82 KMT2A (0.46) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL20505528 0.82 KMT2A (0.69) KMT2AMEN1TSHRL3MBTL1ALDH1A1
SCHEMBL28743917 0.82 BCHE (0.45) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL7869160 0.82 CDC25A (0.57) BCHEKMT2AMEN1TSHRL3MBTL1
SCHEMBL10824174 0.81 OXER1 (0.49) BCHEKMT2AMEN1TSHRL3MBTL1

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