SCHEMBL7796136

SCHEMBL7796136

COc1cc(OC(C)C)ccc1-c1c(OC(C)C)cccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CTSA P10619 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 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
SCHEMBL7786417 0.96 POLB (0.48) ALDH1A1MCL1KDM4EKMT2APOLB
SCHEMBL7794802 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL7794937 0.84 FABP3 (0.49) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL7786415 0.83 KEAP1 (0.48) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL7795671 0.80 KEAP1 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL6543580 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL7792245 0.76 KEAP1 (0.43) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL7475795 0.74 HTT (0.57) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL13937657 0.74 KDM4E (0.62) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL17908039 0.74 ALDH1A1 (0.73) ALDH1A1MCL1KDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed