SCHEMBL8089259

SCHEMBL8089259

CCCOC(=O)n1cc(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ELANE P08246 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TFPI2 P48307 1/20 0.42
LMNA P02545 1/20 0.41
CREBBP Q92793 1/20 0.41
MAPT P10636 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL8083502 0.92 BCHE (0.49) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2114760 0.91 L3MBTL1 (0.54) L3MBTL1MEN1KMT2AELANEKDM4E
SCHEMBL8089256 0.85 MEN1 (0.44) L3MBTL1MEN1KMT2AELANEKDM4E
SCHEMBL8083508 0.81 P2RX4 (0.46) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8530899 0.81 KDM1A (0.48) L3MBTL1MEN1KMT2AALDH1A1TFPI2
SCHEMBL8076273 0.80 KMT2A (0.67) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL24877995 0.78 HTR6 (0.52) L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL12673771 0.78 KMT2A (0.45) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL8083500 0.77 BCHE (0.49) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6283431 0.77 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AELANEKDM4E

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