SCHEMBL398664

SCHEMBL398664

C/C(=C\c1cccc(NS(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AKR1C3 P42330 2/20 0.53
POLB P06746 1/20 0.49
KEAP1 Q14145 1/20 0.47
NR3C1 P04150 2/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
HPGD P15428 1/20 0.44
TBXAS1 P24557 1/20 0.43
SLC9A1 P19634 1/20 0.43
SLC9A3 P48764 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
AKR1C2 P52895 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL398665 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2AKR1C3POLBKEAP1
SCHEMBL398542 0.86 AKR1C3 (0.50) ALDH1A1SMN1; SMN2AKR1C3HPGDTBXAS1
SCHEMBL398543 0.86 AKR1C3 (0.50) ALDH1A1SMN1; SMN2AKR1C3HPGDTBXAS1
SCHEMBL396886 0.85 HDAC1 (0.60) ALDH1A1AKR1C3KEAP1HPGDHDAC3
SCHEMBL396885 0.85 HDAC1 (0.60) ALDH1A1AKR1C3KEAP1HPGDHDAC3
SCHEMBL397627 0.81 AKR1C3 (0.55) ALDH1A1SMN1; SMN2AKR1C3KEAP1PGR
SCHEMBL397626 0.81 AKR1C3 (0.55) ALDH1A1SMN1; SMN2AKR1C3KEAP1PGR
SCHEMBL396992 0.81 HDAC1 (0.62) ALDH1A1SMN1; SMN2POLBHPGDHDAC3
SCHEMBL396991 0.81 HDAC1 (0.62) ALDH1A1SMN1; SMN2POLBHPGDHDAC3
SCHEMBL396989 0.79 HDAC1 (0.60) ALDH1A1AKR1C3POLBKEAP1PGR

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
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