SCHEMBL8527751

SCHEMBL8527751

COP(=O)(Cn1cc(C)c2ccccc21)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
NR4A2 P43354 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.38
GAA P10253 2/20 0.38
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
PRMT5 O14744 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR2F2 P24468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL8531620 0.85 MEN1 (0.47) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8527744 0.83 NR4A2 (0.38) MEN1KMT2ANR4A2GAALMNA
SCHEMBL8526986 0.81 MEN1 (0.55) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL4604002 0.76 CNR2 (0.55) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL90184 0.73 CNR2 (0.56) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8530795 0.72 MEN1 (0.39) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL665932 0.72 MEN1 (0.56) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8527741 0.72 MEN1 (0.52) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8531844 0.72 GAA (0.69) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8527697 0.71 MEN1 (0.55) MEN1KMT2AHDAC1HDAC2HDAC8

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