SCHEMBL7786104

SCHEMBL7786104

CCN(CC)CCCCOc1cccc2c1C(=O)c1cccc(OCCCCN(CC)CC)c1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TTR P02766 1/20 0.44
TERT O14746 1/20 0.44
MAOB P27338 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
BCHE P06276 2/20 0.42
MAOA P21397 2/20 0.42
ACHE P22303 2/20 0.42
ELANE P08246 1/20 0.41
FLT3 P36888 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
SMARCA2 P51531 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7795728 0.96 KCNA3 (0.52) KCNA3ALDH1A1TTRTERTMAOB
SCHEMBL8382501 0.92 KCNA3 (0.49) KCNA3ALDH1A1TTRTERTMAOB
SCHEMBL7791786 0.92 KCNA3 (0.50) KCNA3ALDH1A1TTRTERTMAOB
SCHEMBL8380843 0.88 TTR (0.49) KCNA3ALDH1A1TTRTERTMAOB
Hydrochloric Acid SCHEMBL11606378 0.88 KCNA3 (0.60) KCNA3ALDH1A1TTRMAOBHTR1D
SCHEMBL8380922 0.86 EGFR (0.49) KCNA3ALDH1A1TERTMAOBELANE
SCHEMBL11604524 0.84 KCNA3 (0.59) KCNA3ALDH1A1TTRTERTMAOB
SCHEMBL7786424 0.84 MAPT (0.57) KCNA3ALDH1A1MAOBBCHEMAOA
Hydrochloric Acid SCHEMBL11604026 0.83 KCNA3 (0.58) KCNA3ALDH1A1TTRTERTMAOB
SCHEMBL7795729 0.83 ELANE (0.50) KCNA3ALDH1A1TERTHTR1DHTR1B

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