SCHEMBL396069

SCHEMBL396069

CC(=Cc1cccc(S(=O)(=O)N(C)C)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.53
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
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
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
P4HB P07237 1/20 0.43
ALDH1A1 P00352 5/20 0.42

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
SCHEMBL396068 1.00 AKR1C3 (0.53) AKR1C3KMT2AMEN1HDAC3HDAC4
SCHEMBL394850 0.85 ALDH1A1 (0.54) AKR1C3KMT2AMEN1RAB9AP4HB
SCHEMBL394851 0.85 ALDH1A1 (0.54) AKR1C3KMT2AMEN1RAB9AP4HB
SCHEMBL4871097 0.83 AKR1C3 (0.58) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL4871090 0.83 AKR1C3 (0.58) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3
SCHEMBL397247 0.82 AKR1C3 (0.56) AKR1C3SMN1; SMN2MAPTAKR1C2TBXAS1
SCHEMBL397248 0.82 AKR1C3 (0.56) AKR1C3SMN1; SMN2MAPTAKR1C2TBXAS1
SCHEMBL397777 0.81 AKR1C3 (0.55) AKR1C3KMT2AP4HBALDH1A1SMN1; SMN2
SCHEMBL397778 0.81 AKR1C3 (0.55) AKR1C3KMT2AP4HBALDH1A1SMN1; SMN2
SCHEMBL398494 0.79 AKR1C3 (0.53) AKR1C3HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed