SCHEMBL5509032

SCHEMBL5509032

CCC(CCc1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.45
AR P10275 6/20 0.43
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL5507815 0.96 VDR (0.45) VDRARGRIN2DGRIN2AGRIN2B
SCHEMBL5505759 0.94 VDR (0.44) VDRARGRIN2DGRIN2AGRIN2B
SCHEMBL5499834 0.92 VDR (0.44) VDRAR
SCHEMBL6263044 0.89 VDR (0.49) VDRAR
SCHEMBL1780645 0.88 VDR (0.43) VDRAR
SCHEMBL5503318 0.88 VDR (0.44) VDRAR
SCHEMBL6225868 0.88 VDR (0.47) VDRAR
SCHEMBL5503357 0.87 VDR (0.43) VDRAR
SCHEMBL5504678 0.86 VDR (0.41) VDRAR
SCHEMBL5500473 0.85 VDR (0.40) VDRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 WO disclosed