SCHEMBL7795877

SCHEMBL7795877

CCOc1cc(OC)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HTR2C P28335 3/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 2/20 0.46
RAD52 P43351 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7795948 0.99 POLB (0.48) POLBHTR2CALDH1A1L3MBTL1PTPN1
SCHEMBL7795941 0.94 POLB (0.47) POLBHTR2CPTPN1RAD52
SCHEMBL7794725 0.94 KDM4E (0.48) ALDH1A1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL7795692 0.94 POLB (0.52) POLBHTR2CPTPN1RAD52HRH3
SCHEMBL7795919 0.94 KDM4E (0.48) ALDH1A1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL7792338 0.93 POLB (0.49) POLBHTR2CALDH1A1HRH3KDM4E
SCHEMBL7795752 0.93 POLB (0.48) POLBHTR2CPTPN1RAD52
SCHEMBL7795753 0.93 POLB (0.53) POLBHTR2CALDH1A1PTPN1RAD52
SCHEMBL7791841 0.93 ALDH1A1 (0.49) ALDH1A1L3MBTL1HRH3KDM4ESMN1; SMN2
SCHEMBL7791975 0.93 ALDH1A1 (0.49) POLBALDH1A1L3MBTL1KDM4ESMN1; SMN2

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
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