SCHEMBL8128019

SCHEMBL8128019

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1=O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.90
ALOX15 P16050 4/20 0.90
ALDH1A1 P00352 9/20 0.56
PTGS1 P23219 4/20 0.56
LMNA P02545 3/20 0.56
DRD3 P35462 2/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
CYP3A4 P08684 5/20 0.55
APP P05067 4/20 0.55
SNCA P37840 4/20 0.55
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
RXRA P19793 5/20 0.50
RARA P10276 4/20 0.50
RARB P10826 4/20 0.50
RARG P13631 4/20 0.50
HIF1A Q16665 3/20 0.50

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
SCHEMBL8132702 1.00 MAPT (0.90) MAPTALOX15ALDH1A1PTGS1LMNA
Canthaxanthin SCHEMBL12920083 0.95 MAPT (1.00) MAPTALOX15ALDH1A1PTGS1LMNA
Canthaxanthin SCHEMBL19618 0.95 MAPT (1.00) MAPTALOX15ALDH1A1PTGS1LMNA
Canthaxanthin SCHEMBL8971840 0.95 MAPT (1.00) MAPTALOX15ALDH1A1PTGS1LMNA
SCHEMBL2878712 0.91 MAPT (0.87) MAPTALOX15ALDH1A1PTGS1LMNA
SCHEMBL2832602 0.91 MAPT (0.92) MAPTALOX15ALDH1A1PTGS1LMNA
SCHEMBL2398379 0.91 MAPT (0.87) MAPTALOX15ALDH1A1PTGS1LMNA
Canthaxanthin SCHEMBL419514 0.90 MAPT (0.90) MAPTALOX15ALDH1A1PTGS1LMNA
SCHEMBL13252665 0.90 MAPT (0.90) MAPTALOX15ALDH1A1PTGS1LMNA
SCHEMBL12646769 0.88 MAPT (0.85) MAPTALOX15ALDH1A1PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630578-B1 Pigmentation with carotenoids HOFFMANN LA ROCHE (CH) 2000-05-31 EP claimed
EP-0630578-A2 Pigmentation with carotenoids F. HOFFMANN-LA ROCHE AG (CH) 1994-12-28 EP claimed
EP-0630578-B1 Pigmentation with carotenoids HOFFMANN LA ROCHE (CH) 2000-05-31 EP disclosed
US-5670548-A USED IN FOODS ROCHE VITAMINS INC. (US) 1997-09-23 US disclosed
US-5605699-A FOR USE IN ANIMAL FEEDS; FOR ENHANCING COLOR OF EGG YOLKS HOFFMANN-LA ROCHE INC. (US) 1997-02-25 US disclosed
EP-0630578-A2 Pigmentation with carotenoids F. HOFFMANN-LA ROCHE AG (CH) 1994-12-28 EP disclosed