SCHEMBL396715

SCHEMBL396715

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
PDK3 Q15120 3/20 0.41
PDK4 Q16654 3/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL396714 1.00 AKR1C3 (0.45) AKR1C3ALDH1A1GAAHPGDHDAC1
SCHEMBL392887 0.86 AKR1C3 (0.49) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL392886 0.86 AKR1C3 (0.49) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL393882 0.84 ALDH1A1 (0.56) AKR1C3ALDH1A1GAAHPGDHDAC1
SCHEMBL393883 0.84 ALDH1A1 (0.56) AKR1C3ALDH1A1GAAHPGDHDAC1
SCHEMBL397723 0.84 ATM (0.47) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL397722 0.84 ATM (0.47) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL396101 0.83 AKR1C3 (0.49) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL396102 0.83 AKR1C3 (0.49) AKR1C3ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL397007 0.81 ALDH1A1 (0.49) AKR1C3ALDH1A1HDAC1HDAC3HDAC4

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