SCHEMBL7792602

SCHEMBL7792602

CCOc1ccc(OCCCN2CCCC2)c2c1-c1c(OCCCN3CCCC3)cccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 6/20 0.59
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPM2 O94759 1/20 0.47
PARP1 P09874 1/20 0.47
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 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
SCHEMBL7792791 0.99 ALDH1A1 (0.57) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7786139 0.94 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP2D6CYP2C19KDM4E
SCHEMBL7796208 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7786435 0.93 CYP2D6 (0.50) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7794755 0.93 CYP2D6 (0.50) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7786359 0.93 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP2D6CYP2C19KDM4E
SCHEMBL7795889 0.93 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7792561 0.92 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7792345 0.92 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT
SCHEMBL7792228 0.91 ALDH1A1 (0.54) ALDH1A1L3MBTL1CYP2D6CYP2C19HTT

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