SCHEMBL1954870

SCHEMBL1954870

CCCCCOc1cc(O)cc(O)c1CCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 10/20 0.47
▸ PTGS2 P35354 6/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PGAM1 P18669 1/20 0.44
▸ CNR1 P21554 3/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL28841856 0.86 PGAM1 (0.40) ALOX5PTGS2PGAM1CNR1CNR2
SCHEMBL28397047 0.85 PGAM1 (0.39) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL28877162 0.82 ALOX5 (0.49) ALOX5PTGS2PGAM1
SCHEMBL168062 0.82 HTT (0.63) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL28588510 0.80 CYP19A1 (0.56) ALOX5PTGS2PGAM1CNR1CNR2
SCHEMBL19433099 0.80 PTGS2 (0.61) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL19433098 0.80 PTGS2 (0.61) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL19433103 0.80 PTGS2 (0.61) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL9743295 0.76 HTT (0.72) ALOX5PTGS2CYP3A4HTTNPC1
SCHEMBL8936709 0.75 CNR1 (0.67) ALOX5PTGS2CYP3A4CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071547-A1 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2013-03-21 — — US claimed
EP-2509452-A2 LOW CALORIC FAT REPLACERS Nestec S.A. (CH) 2012-10-17 — — EP claimed
WO-2011069958-A2 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2011-06-16 — — WO claimed
EP-2332427-A1 low caloric fat replacers Nestec S.A. (CH) 2011-06-15 — — EP claimed
US-20130071547-A1 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2013-03-21 — — US disclosed
EP-2509452-A2 LOW CALORIC FAT REPLACERS Nestec S.A. (CH) 2012-10-17 — — EP disclosed
WO-2011069958-A2 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2011-06-16 — — WO disclosed
EP-2332427-A1 low caloric fat replacers Nestec S.A. (CH) 2011-06-15 — — EP disclosed
WO-2007060532-A2 NOVEL THERAPEUTIC COMPOSITIONS AND METHOD FOR PRODUCING ACTIVE PRINCIPLES R ET D PHARMA (MC) 2007-05-31 — — WO disclosed
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