SCHEMBL6155585

SCHEMBL6155585

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 8/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
FFAR1 O14842 3/20 0.41
EPOR P19235 2/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL6155578 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6155450 0.93 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6155441 0.93 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156397 0.92 PPARA (0.47) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156403 0.92 PPARA (0.47) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6887226 0.89 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6887232 0.89 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6885033 0.84 PPARG (0.39) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6885040 0.84 PPARG (0.39) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6154955 0.84 CHRM2 (0.40) KDM4EALDH1A1SMN1; SMN2PPARAPPARG

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