SCHEMBL5027003

SCHEMBL5027003

CC1=C(CC(=O)CCO)C(C)(C)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
RXRA P19793 2/20 0.42
RARA P10276 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HAO1 Q9UJM8 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 5/20 0.36
ACHE P22303 1/20 0.36
RBP4 P02753 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
PDCD1 Q15116 2/20 0.33
ACE2 Q9BYF1 2/20 0.33

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
SCHEMBL4456372 0.83 CYP1A2 (0.41) RARBRARGRXRARARAALDH1A1
SCHEMBL959478 0.80 CYP1A2 (0.47) RARBRARGRXRARARAALDH1A1
SCHEMBL17066873 0.78 ALDH1A1 (0.46) RARBRARGRXRARARAALDH1A1
SCHEMBL4304302 0.75 ALDH1A1 (0.49) RARBRARGRXRARARAALDH1A1
SCHEMBL26054308 0.75 HAO1 (0.41) RARBRARGRXRARARAALDH1A1
SCHEMBL4666701 0.75 ALDH1A1 (0.44) RARBRARGRXRARARAALDH1A1
SCHEMBL3839248 0.74 HAO1 (0.43) RARBRARGRXRARARAALDH1A1
SCHEMBL4392939 0.74 TRPA1 (0.41) RARBRARGRXRARARAALDH1A1
SCHEMBL441670 0.73 RARB (0.56) RARBRARGRXRARARAALDH1A1
SCHEMBL15266487 0.73 RARB (0.56) RARBRARGRXRARARAALDH1A1

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-2007221-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT Chemaphor Inc. (CA) 2008-12-31 EP claimed
WO-2007112587-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT CHEMAPHOR INC. (CA) 2007-10-11 WO claimed