SCHEMBL27587233

SCHEMBL27587233

CCC(O)(CC)c1ccc(-c2cc(OCc3cc[c]c(CO)c3)ccc2C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
FFAR1 O14842 4/20 0.32
PPARD Q03181 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL27568056 0.91 VDR (0.44) VDRFFAR1PPARDHRH3
SCHEMBL6564192 0.82 VDR (0.68) VDRFFAR1PPARD
SCHEMBL27587219 0.82 VDR (0.36) VDR
SCHEMBL27568017 0.82 VDR (0.42) VDRFFAR1PPARD
SCHEMBL4617119 0.81 VDR (0.75) VDR
SCHEMBL15060109 0.80 VDR (0.49) VDRFFAR1PPARD
SCHEMBL27577864 0.79 VDR (0.57) VDRFFAR1PPARD
SCHEMBL27568006 0.79 VDR (0.45) VDRFFAR1
SCHEMBL27587253 0.78 VDR (0.60) VDRPPARD
SCHEMBL27587249 0.78 FFAR1 (0.42) VDRFFAR1

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