SCHEMBL8527335

SCHEMBL8527335

Cc1cn(CC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ LMNA P02545 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ TSHR P16473 2/20 0.56
▸ MAPT P10636 2/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL8528645 0.86 ALDH1A1 (0.71) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL8527333 0.84 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL13807683 0.84 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL8135364 0.83 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL8531844 0.81 GAA (0.69) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL3307798 0.79 KMT2A (0.74) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL8530899 0.78 KDM1A (0.48) KMT2AMEN1L3MBTL1ALDH1A1NPSR1
SCHEMBL8530934 0.78 MEN1 (0.59) KMT2AMEN1L3MBTL1POLBLMNA
SCHEMBL21522987 0.77 HPGD (0.62) KMT2ATSHRMAPK1
SCHEMBL8530610 0.76 KMT2A (0.69) KMT2AMEN1L3MBTL1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 — — EP disclosed
Send feedback