SCHEMBL8089256

SCHEMBL8089256

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 5/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.41
BCHE P06276 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL8083500 0.92 BCHE (0.49) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL6283431 0.89 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ELANEALDH1A1
SCHEMBL8089259 0.85 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ELANEALDH1A1
SCHEMBL8083506 0.81 P2RX4 (0.46) MEN1KMT2AL3MBTL1ELANEALDH1A1
SCHEMBL8076272 0.80 KMT2A (0.67) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8530895 0.79 KDM1A (0.49) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL24877995 0.78 HTR6 (0.52) L3MBTL1
SCHEMBL8083502 0.77 BCHE (0.49) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8087743 0.77 KMT2A (0.43) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL13168856 0.76 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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 9 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
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-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
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-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed