SCHEMBL8866201

SCHEMBL8866201

C#COC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CC(=O)N3)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
HSD17B1 P14061 1/20 0.36
PGR P06401 10/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CRBN Q96SW2 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL9116437 0.80 HSD17B1 (0.35) RARBRARGHSD17B1PGR
SCHEMBL8866206 0.78 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8671302 0.77 PGR (0.38) RARBRARGHSD17B1PGR
SCHEMBL8668855 0.75 RXRA (0.34) RARBRARGHSD17B1PGR
SCHEMBL9425658 0.73 HSD17B1 (0.43) HSD17B1
SCHEMBL9089192 0.71 PGR (0.32) RARBRARGHSD17B1PGR
SCHEMBL3799866 0.70 PARP1 (0.48) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9425231 0.68 RXRB (0.46) HDAC4HDAC2HDAC8HSD17B1
SCHEMBL9426099 0.68 RARB (0.39) RARBRARGHSD17B1
SCHEMBL8631041 0.66 RARB (0.48) HDAC3HDAC4HDAC1HDAC2HDAC8

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
US-5616712-A SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; ALLERGAN (US) 1997-04-01 US disclosed