SCHEMBL9740606

SCHEMBL9740606

COc1cc(/C=C(\CC(=O)O)C(=O)O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HTR1A P08908 2/20 0.51
HPGD P15428 2/20 0.51
HTR2C P28335 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
PSMB11 A5LHX3 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 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
SCHEMBL9740608 1.00 MEN1 (0.53) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL28310737 0.86 HTR1A (0.53) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10335328 0.83 GAA (0.56) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10335578 0.83 GAA (0.56) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL28310745 0.83 HTR1A (0.50) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL28310756 0.81 ALOX5 (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL26667031 0.79 GAA (0.48) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10606243 0.79 HTR1A (0.52) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10610363 0.79 HTR1A (0.52) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8630136 0.78 HTR1A (0.59) MEN1KMT2APOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed