SCHEMBL7786284

SCHEMBL7786284

CCCOc1cc(OC)c2c(c1)C(=O)c1cccc(OCCC3CCCCN3)c1-2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
KCNA3 P22001 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SSTR2 P30874 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CHEK1 O14757 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
ELANE P08246 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
SCHEMBL7786430 0.97 CHRNB4 (0.42) CHRNB4CHRNA3KCNA3HCRTR1HCRTR2
SCHEMBL7792056 0.97 CHRNB4 (0.41) CHRNB4CHRNA3KCNA3SSTR2PIM1
Hydrochloric Acid SCHEMBL7792644 0.96 CHRNB4 (0.42) CHRNB4CHRNA3KCNA3HCRTR1HCRTR2
SCHEMBL7786122 0.95 KCNA3 (0.39) KCNA3SSTR2PIM1PIM2ELANE
SCHEMBL7795843 0.95 KCNA3 (0.39) KCNA3SSTR2PIM1PIM2ELANE
SCHEMBL7792333 0.94 CHRNB4 (0.39) CHRNB4CHRNA3KCNA3SSTR2PIM1
SCHEMBL7794691 0.94 CHRNB4 (0.45) CHRNB4CHRNA3KCNA3CHEK1CYP1A2
SCHEMBL7795936 0.93 CYP1A2 (0.40) CHRNB4CHRNA3KCNA3SSTR2PIM1
SCHEMBL7795695 0.93 CYP1A2 (0.42) CHRNB4CHRNA3KCNA3SSTR2PIM1
SCHEMBL7792135 0.93 TTR (0.37) KCNA3SSTR2PIM1PIM2ELANE

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