SCHEMBL398076

SCHEMBL398076

CCS(=O)(=O)Nc1ccc(/C=C(\C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.57
LMNA P02545 2/20 0.53
AKR1C3 P42330 1/20 0.51
HDAC1 Q13547 2/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR3C2 P08235 1/20 0.45
TBXAS1 P24557 3/20 0.44
AR P10275 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KIF11 P52732 1/20 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
SCHEMBL398077 1.00 HPGD (0.57) HPGDLMNAAKR1C3HDAC1HTT
SCHEMBL397627 0.84 AKR1C3 (0.55) HPGDLMNAAKR1C3HDAC1HTT
SCHEMBL397626 0.84 AKR1C3 (0.55) HPGDLMNAAKR1C3HDAC1HTT
SCHEMBL398542 0.82 AKR1C3 (0.50) HPGDLMNAAKR1C3HDAC1HTT
SCHEMBL398543 0.82 AKR1C3 (0.50) HPGDLMNAAKR1C3HDAC1HTT
SCHEMBL397675 0.79 HDAC1 (0.78) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL397674 0.79 HDAC1 (0.78) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL2462984 0.77 AKR1C3 (0.82) AKR1C3HTTTBXAS1L3MBTL1KDM4E
SCHEMBL2462983 0.77 AKR1C3 (0.82) AKR1C3HTTTBXAS1L3MBTL1KDM4E
SCHEMBL397356 0.77 HDAC1 (0.62) HPGDLMNAHDAC1HDAC3HDAC4

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