SCHEMBL7795907

SCHEMBL7795907

CCOc1cccc2c1-c1c(OCCC3CCCN3)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
TTR P02766 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNA3 P22001 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7794783 0.96 PIM1 (0.41) CHRNB4CHRNA3TTRDDB1CRBN
SCHEMBL7786143 0.94 CHRNB4 (0.40) CHRNB4CHRNA3TTRDDB1CRBN
SCHEMBL7792203 0.94 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7795723 0.92 ELANE (0.44) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7791842 0.92 TTR (0.39) CHRNB4CHRNA3TTRDDB1CRBN
SCHEMBL7791970 0.92 TTR (0.39) CHRNB4CHRNA3TTRDDB1CRBN
SCHEMBL7786360 0.91 PIM1 (0.40) CHRNB4CHRNA3TTRDDB1CRBN
SCHEMBL7792650 0.91 PIM1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7792222 0.91 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7786158 0.90 TTR (0.38) CHRNB4CHRNA3TTRDDB1CRBN

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