SCHEMBL6156820

SCHEMBL6156820

CCOCOCc1cc(/C=C/c2cccc(CCCCCC(=O)O)c2)cc(OCOCC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.43
PPARG P37231 4/20 0.43
ALB P02768 1/20 0.43
FFAR1 O14842 2/20 0.42
PPARD Q03181 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6156825 1.00 PPARA (0.43) PPARAPPARGALBFFAR1PPARD
SCHEMBL6156187 0.99 PPARA (0.41) PPARAPPARGALBFFAR1PPARD
SCHEMBL6156193 0.99 PPARA (0.41) PPARAPPARGALBFFAR1PPARD
SCHEMBL6155182 0.93 PPARA (0.48) PPARAPPARGALBFFAR1PPARD
SCHEMBL6155173 0.93 PPARA (0.48) PPARAPPARGALBFFAR1PPARD
SCHEMBL6156496 0.92 PPARA (0.47) PPARAPPARGALBFFAR1PPARD
SCHEMBL6156488 0.92 PPARA (0.47) PPARAPPARGALBFFAR1PPARD
SCHEMBL6886116 0.91 PPARA (0.41) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6886124 0.91 PPARA (0.41) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6888522 0.90 CYP4F2 (0.41) PPARAPPARGCYSLTR2CYSLTR1KDM4E

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed