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Sugi Predict / Compounds / SCHEMBL5703383

SCHEMBL5703383

SCHEMBL5703383

CCC(CCc1ccc(C(=O)O)c(C)c1)c1ccc(OCC(O)(CC)CC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ VDR P11473 3/20 0.41
▸ FFAR4 Q5NUL3 12/20 0.37
▸ FFAR1 O14842 8/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RARB P10826 1/20 0.34

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
SCHEMBL5703376 1.00 HDAC3 (0.41) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL5703454 0.88 HDAC6 (0.39) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL5703451 0.88 HDAC6 (0.39) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL5703439 0.85 FFAR4 (0.49) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6225868 0.84 VDR (0.47) VDR
SCHEMBL6227729 0.83 HDAC6 (0.43) HDAC3HDAC6VDR
SCHEMBL6228546 0.83 HDAC6 (0.43) HDAC3HDAC6VDR
SCHEMBL5703483 0.80 BCHE (0.35) HDAC3HDAC6FFAR4FFAR1
SCHEMBL6259401 0.80 HDAC3 (0.41) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6259404 0.80 HDAC3 (0.41) HDAC3HDAC6VDRFFAR1

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-1687258-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 — — EP disclosed
WO-2005051893-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 — — WO disclosed