SCHEMBL7791841

SCHEMBL7791841

CCOc1cc(OCCN2CCCC2)cc2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45

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
SCHEMBL7795919 0.99 KDM4E (0.48) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7791975 0.98 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7786160 0.97 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7794725 0.97 KDM4E (0.48) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7792138 0.96 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7794779 0.94 L3MBTL1 (0.54) ALDH1A1L3MBTL1KDM4EHTTTSHR
SCHEMBL7786085 0.94 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EHTTTSHR
SCHEMBL7792673 0.94 KDM4E (0.46) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL7795948 0.94 POLB (0.48) ALDH1A1L3MBTL1KDM4EHTTTDP1
SCHEMBL7792327 0.93 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1HRH3

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