SCHEMBL7606753

SCHEMBL7606753

CCC(O)CCc1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.35
CD274 Q9NZQ7 8/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
PDCD1 Q15116 1/20 0.34
FFAR1 O14842 1/20 0.33
ABCB1 P08183 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL7612427 0.89 CD274 (0.40) CD274FFAR4PDCD1FFAR1
SCHEMBL7606742 0.88 VDR (0.35) VDRCD274RXRARXRBRXRG
SCHEMBL7610505 0.82 VDR (0.43) VDRCD274FFAR4FFAR1
SCHEMBL7607763 0.82 VDR (0.46) VDRFFAR4FFAR1STAT3
SCHEMBL7610506 0.82 VDR (0.43) VDRFFAR4FFAR1
SCHEMBL7606748 0.82 VDR (0.35) VDRCD274RXRARXRBRXRG
SCHEMBL7606177 0.81 VDR (0.54) VDRFFAR4FFAR1
SCHEMBL7606371 0.80 FFAR1 (0.47) VDRFFAR4FFAR1
SCHEMBL6563072 0.79 VDR (0.53) VDRCD274RXRARXRBRXRG
SCHEMBL7615205 0.79 VDR (0.52) VDRSTAT3

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-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed