SCHEMBL6156496

SCHEMBL6156496

CCOCOc1cc(C=Cc2cccc(CCCCC(=O)O)c2)cc(OCOCC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
PPARG P37231 5/20 0.47
FFAR1 O14842 5/20 0.47
PPARD Q03181 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALB P02768 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.40
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
S1PR1 P21453 1/20 0.39

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
SCHEMBL6156488 1.00 PPARA (0.47) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6155182 0.99 PPARA (0.48) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6155173 0.99 PPARA (0.48) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6156193 0.93 PPARA (0.41) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6156187 0.93 PPARA (0.41) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6156825 0.92 PPARA (0.43) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6156820 0.92 PPARA (0.43) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6885248 0.89 CYP4F2 (0.45) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6885253 0.89 CYP4F2 (0.45) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6887506 0.89 CYP4F2 (0.44) PPARAPPARGFFAR1PPARDKDM4E

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