SCHEMBL27587232

SCHEMBL27587232

CCC(O)(CC)c1ccc(-c2cccc(OCc3cccc(CO)c3)c2)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
VDR P11473 2/20 0.44
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KDR P35968 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
CDK1 P06493 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL6564106 0.89 VDR (0.58) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL27587249 0.86 FFAR1 (0.42) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL2495554 0.77 FFAR1 (0.48) FFAR1NR1H2NR1H3
SCHEMBL6562865 0.77 VDR (0.61) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL6563025 0.75 VDR (0.58) FFAR1VDR
SCHEMBL27587223 0.73 VDR (0.43) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL27568017 0.73 VDR (0.42) FFAR1VDR
SCHEMBL6566261 0.73 VDR (0.63) FFAR1VDRNR4A1NR4A2NR4A3
SCHEMBL2310765 0.72 FFAR1 (0.53) FFAR1CNR1CNR2ABL1EGFR
SCHEMBL6564607 0.72 VDR (0.57) FFAR1VDRNR4A1NR4A2NR4A3

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