SCHEMBL7795945

SCHEMBL7795945

CCOc1cc(OC)cc2c1-c1c(OCCC3CCCN3)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
TTR P02766 1/20 0.38
CHEK1 O14757 1/20 0.37
CYP1A2 P05177 2/20 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
GHSR Q92847 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA3 P22001 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAOA P21397 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
SCHEMBL7795875 0.97 CYP1A2 (0.40) CHRNB4CHRNA3TTRCYP1A2CYP2D6
SCHEMBL7795748 0.95 CHRNB4 (0.41) CHRNB4CHRNA3CHEK1CYP1A2CYP2D6
SCHEMBL7791842 0.94 TTR (0.39) CHRNB4CHRNA3TTRKCNA3DDB1
SCHEMBL7791970 0.94 TTR (0.39) CHRNB4CHRNA3TTRKCNA3DDB1
SCHEMBL7795755 0.93 CHRNB4 (0.45) CHRNB4CHRNA3CHEK1CYP1A2CYP2D6
SCHEMBL7795936 0.92 CYP1A2 (0.40) CHRNB4CHRNA3CYP1A2CYP2D6CYP2C19
SCHEMBL7786316 0.92 CHRNB4 (0.42) CHRNB4CHRNA3TTRCHEK1CYP1A2
SCHEMBL7786158 0.92 TTR (0.38) CHRNB4CHRNA3TTRKCNA3DDB1
SCHEMBL7794727 0.91 TTR (0.39) TTRKMT2AKCNA3DDB1CRBN
SCHEMBL7792670 0.91 TTR (0.36) CHRNB4CHRNA3TTRKCNA3

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