SCHEMBL7794727

SCHEMBL7794727

CCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCC3CCCCN3)c1-2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
SSTR2 P30874 3/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PTPRC P08575 1/20 0.36
KCNA3 P22001 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7795922 0.98 TTR (0.39) TTRSSTR2PIM1PIM2PTPRC
SCHEMBL7794866 0.97 SSTR2 (0.37) TTRSSTR2PIM1PIM2KCNA3
SCHEMBL7791970 0.97 TTR (0.39) TTRKCNA3DDB1CRBN
SCHEMBL7792135 0.96 TTR (0.37) TTRSSTR2PIM1PIM2PTPRC
SCHEMBL7791842 0.95 TTR (0.39) TTRKCNA3DDB1CRBN
SCHEMBL7795875 0.94 CYP1A2 (0.40) TTRSSTR2PIM1PIM2PTPRC
SCHEMBL7792333 0.94 CHRNB4 (0.39) TTRSSTR2PIM1PIM2KCNA3
SCHEMBL7792670 0.94 TTR (0.36) TTRKCNA3
SCHEMBL7786158 0.93 TTR (0.38) TTRKCNA3DDB1CRBN
SCHEMBL7786122 0.93 KCNA3 (0.39) SSTR2PIM1PIM2KCNA3HSP90AA1

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