SCHEMBL27587249

SCHEMBL27587249

CCC(O)(CC)c1ccc(-c2cccc(OCc3cc[c]c(CO)c3)c2)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.42
VDR P11473 2/20 0.41
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE5A O76074 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL27587232 0.86 FFAR1 (0.46) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL6564106 0.84 VDR (0.58) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL27568017 0.82 VDR (0.42) FFAR1VDR
SCHEMBL27568019 0.79 F9 (0.37) FFAR1VDRNR4A2
SCHEMBL27587233 0.78 VDR (0.48) FFAR1VDR
SCHEMBL27587223 0.77 VDR (0.43) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL27568056 0.77 VDR (0.44) FFAR1VDRALOX5
SCHEMBL27587219 0.74 VDR (0.36) VDRCNR1CNR2
SCHEMBL27587237 0.74 VDR (0.34) VDR
SCHEMBL4617119 0.73 VDR (0.75) VDR

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 disclosed