SCHEMBL6901597

SCHEMBL6901597

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.48
HDAC4 P56524 5/20 0.48
HDAC8 Q9BY41 4/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 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
SCHEMBL6898723 0.93 HDAC1 (0.48) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL6900931 0.92 HDAC3 (0.45) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL6898018 0.92 HDAC3 (0.45) HDAC1HDAC4HDAC8CYP3A4HDAC3
SCHEMBL6901651 0.91 FLT1 (0.51) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL6898410 0.91 MEN1 (0.51) HDAC1HDAC4HDAC8ALDH1A1HDAC3
SCHEMBL6903905 0.89 HDAC3 (0.42) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL6901578 0.89 HDAC1 (0.51) HDAC1HDAC4HDAC8MAPTALDH1A1
SCHEMBL6903710 0.89 HDAC4 (0.42) HDAC1HDAC4HDAC8MAPTALDH1A1
SCHEMBL6897954 0.89 HDAC1 (0.53) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL6901743 0.88 HDAC1 (0.50) HDAC1HDAC4HDAC8MAPTALDH1A1

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