SCHEMBL6232005

SCHEMBL6232005

CCOC(=O)C(C)(C)SCC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PIN1 Q13526 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ALDH1A1 P00352 6/20 0.44
MMP8 P22894 1/20 0.43
RAB9A P51151 4/20 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
SCHEMBL9712251 0.78 MMP8 (0.52) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL4298143 0.78 POLB (0.51) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL12121920 0.78 POLB (0.66) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL14394147 0.77 ALDH1A1 (0.55) NPC1KMT2AMEN1HDAC3HDAC4
SCHEMBL164403 0.76 POLB (0.49) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL1464689 0.74 PIN1 (0.50) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL29492080 0.74 POLB (0.69) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL6228327 0.74 POLB (0.54) POLBNPSR1NPC1KMT2AMEN1
SCHEMBL9874568 0.73 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MMP8MAPT
SCHEMBL5963640 0.73 POLB (0.64) POLBNPSR1NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525177-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF Genfit (FR) 2005-04-27 EP disclosed
WO-2004005233-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF GENFIT (FR) 2004-01-15 WO disclosed