SCHEMBL6903710

SCHEMBL6903710

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC3 O15379 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6900931 0.91 HDAC3 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6898723 0.91 HDAC1 (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6901578 0.90 HDAC1 (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6898018 0.89 HDAC3 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6901597 0.89 HDAC1 (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6903905 0.88 HDAC3 (0.42) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6898410 0.88 MEN1 (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6901651 0.88 FLT1 (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6903105 0.85 CA12 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6901743 0.85 HDAC1 (0.50) HDAC4HDAC1HDAC3HDAC7HDAC2

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