SCHEMBL398542

SCHEMBL398542

CCS(=O)(=O)Nc1cccc(/C=C(\C)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
TBXAS1 P24557 1/20 0.44
NAMPT P43490 1/20 0.42
BRD4 O60885 1/20 0.41
SLC9A1 P19634 1/20 0.41
SLC9A3 P48764 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL398543 1.00 AKR1C3 (0.50) AKR1C3HPGDLMNATBXAS1NAMPT
SCHEMBL398665 0.86 ALDH1A1 (0.55) AKR1C3HPGDTBXAS1SLC9A1SLC9A3
SCHEMBL398664 0.86 ALDH1A1 (0.55) AKR1C3HPGDTBXAS1SLC9A1SLC9A3
SCHEMBL398077 0.82 HPGD (0.57) AKR1C3HPGDLMNATBXAS1KDM4E
SCHEMBL398076 0.82 HPGD (0.57) AKR1C3HPGDLMNATBXAS1KDM4E
SCHEMBL396886 0.82 HDAC1 (0.60) AKR1C3HPGDBRD4ALDH1A1THRB
SCHEMBL396885 0.82 HDAC1 (0.60) AKR1C3HPGDBRD4ALDH1A1THRB
SCHEMBL396991 0.79 HDAC1 (0.62) HPGDLMNAALDH1A1THRBNPSR1
SCHEMBL396992 0.79 HDAC1 (0.62) HPGDLMNAALDH1A1THRBNPSR1
SCHEMBL9654379 0.77 HPGD (0.49) HPGDLMNANAMPTBRD4ALDH1A1

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