SCHEMBL3392543

SCHEMBL3392543

CCCCC(c1ccc(OCC(O)(CC)CC)c(C)c1)c1cc(C)c(C(=O)NCC(=O)OC)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
VDR P11473 11/20 0.38
C3AR1 Q16581 5/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL6259003 0.80 HDAC3 (0.39) HDAC3HDAC6VDR
SCHEMBL6259000 0.80 HDAC3 (0.39) HDAC3HDAC6VDRPPARDPPARA
SCHEMBL3392542 0.77 HDAC3 (0.53) HDAC3HDAC6VDR
SCHEMBL4481031 0.76 HDAC3 (0.38) HDAC3HDAC6VDRPPARDPPARA
SCHEMBL6438702 0.75 VDR (0.43) HDAC3HDAC6VDRPPARDPPARA
SCHEMBL6278405 0.75 HDAC3 (0.39) HDAC3HDAC6VDRPPARDPPARA
SCHEMBL6278407 0.75 HDAC6 (0.39) HDAC3HDAC6VDR
SCHEMBL6440884 0.73 HDAC6 (0.40) HDAC3HDAC6VDR
SCHEMBL3395489 0.73 HDAC6 (0.41) HDAC3HDAC6VDR
SCHEMBL6466925 0.72 HDAC6 (0.43) HDAC3HDAC6VDR

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
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed