SCHEMBL27587221

SCHEMBL27587221

CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(OC)c(CO)c3)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.43
FYN P06241 5/20 0.38
FFAR1 O14842 2/20 0.37
PPARD Q03181 3/20 0.36
PPARA Q07869 2/20 0.35
MAOB P27338 2/20 0.35
ERN1 O75460 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL6564937 0.90 VDR (0.52) VDRFYNPPARDPPARAMAOB
SCHEMBL27587218 0.82 VDR (0.42) VDRFFAR1PPARDPPARAMAOB
SCHEMBL6564607 0.77 VDR (0.57) VDRFFAR1MAOB
SCHEMBL6562865 0.73 VDR (0.61) VDRFFAR1MAOBPDE4APDE4B
SCHEMBL6564158 0.73 VDR (0.52) VDRFFAR1
SCHEMBL6564905 0.71 VDR (0.51) VDRFFAR1MAOBALOX5
SCHEMBL6564106 0.71 VDR (0.58) VDRFFAR1MAOBPDE4APDE4B
SCHEMBL17954210 0.71 CYP4F2 (0.49) FYNFFAR1CYP4F2CYP4A11
SCHEMBL6564116 0.70 VDR (0.64) VDRFFAR1PPARD
SCHEMBL7605318 0.69 VDR (0.41) VDRFYNFFAR1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN claimed