SCHEMBL851115

SCHEMBL851115

Cc1cccc(C)c1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.34
ABCB1 P08183 2/20 0.34
PSMB5 P28074 2/20 0.33
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
FEN1 P39748 2/20 0.32
HPGD P15428 1/20 0.31
CXCR5 P32302 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL287733 0.87 S1PR1 (0.38) HTR2CABCB1PSMB5PTGS2HTR1A
SCHEMBL28000628 0.82 ABCB1 (0.47) ABCB1PTGS2HTR1AFEN1
SCHEMBL22275 0.81 ABCB1 (0.47) HTR2CABCB1HTR1AFEN1HPGD
SCHEMBL19182356 0.81 HTR1A (0.35) ABCB1PSMB5PTGS2HTR1AHTR7
SCHEMBL28153847 0.81 PSMB5 (0.34) ABCB1PSMB5PTGS2
SCHEMBL28152698 0.79 PTGS2 (0.39) ABCB1PTGS2HPGD
SCHEMBL28152691 0.78 CHRNB2 (0.38) HTR2CABCB1FEN1
SCHEMBL68108 0.78 PTGS2 (0.39) PSMB5PTGS2FEN1
SCHEMBL3499337 0.78 ALOX5AP (0.37) HTR2CABCB1HTR1AFEN1
SCHEMBL28152695 0.77 ABCB1 (0.43) ABCB1PTGS2HTR1AHTR7FEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139838-B1 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID GRINDEKS JSC (LV) 2012-03-28 EP claimed
EP-2139838-A2 A PROCESS FOR THE PREPARATION OF 6-Ý3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID Grindeks, a joint stock company (LV) 2010-01-06 EP claimed
WO-2008080992-A2 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID KALVINSH IVARS (LV) 2008-07-10 WO claimed