SCHEMBL5549699

SCHEMBL5549699

CCCCC1=C(c2cccc(CO)c2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
PRKCI P41743 1/20 0.39
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
ENPP2 Q13822 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX5 P09917 1/20 0.34
MAP2K4 P45985 1/20 0.33
NPY5R Q15761 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL5550486 0.77 TLR8 (0.41)
SCHEMBL1021866 0.76 CHRNB4 (0.38) CHRNB4CHRNA3CHRNA7PRKCIACMSD
SCHEMBL5549746 0.75 RARB (0.40) DRD3PTGS2
SCHEMBL1019334 0.74 CHRNB4 (0.36) CHRNB4CHRNA3CHRNA7PRKCILPL
SCHEMBL1019331 0.74 CHRNB4 (0.36) CHRNB4CHRNA3CHRNA7PRKCILPL
SCHEMBL14489482 0.73 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7PRKCIENPP2
SCHEMBL6845384 0.71 LPL (0.53) LPLLIPGENPP2
SCHEMBL27687396 0.70 CHRNB4 (0.34) CHRNB4CHRNA3CHRNA7PRKCIDRD2
SCHEMBL5550509 0.70 MAPK14 (0.46) PTGS2
SCHEMBL199210 0.68 LPL (0.52) LPLLIPG

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-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO disclosed