SCHEMBL6901609

SCHEMBL6901609

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
POLB P06746 1/20 0.48
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MAOB P27338 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
BCHE P06276 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL6901578 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6898723 0.88 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6898020 0.87 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6897954 0.87 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6897962 0.87 PGR (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6904409 0.84 HDAC1 (0.54) HDAC1HDAC8MMP1MMP2MMP9
SCHEMBL6903710 0.83 HDAC4 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6903303 0.83 CA2 (0.45) MMP1MMP2MMP9MAOBLMNA
SCHEMBL6901597 0.82 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6900931 0.82 HDAC3 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO disclosed