SCHEMBL398666

SCHEMBL398666

C=C(Cc1cccc(NS(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NR3C1 P04150 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.48
ROCK1 Q13464 6/20 0.47
KEAP1 Q14145 1/20 0.46
CYP3A4 P08684 4/20 0.44
PRKACA P17612 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
ROCK2 O75116 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
FABP4 P15090 1/20 0.43
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
OPRM1 P35372 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
SCHEMBL398544 0.87 ADRA2A (0.47) ALDH1A1SMN1; SMN2CYP3A4FABP4
SCHEMBL2767758 0.85 ALDH1A1 (0.55) ALDH1A1NR3C1SMN1; SMN2POLBROCK1
SCHEMBL396887 0.83 HTR6 (0.62) ALDH1A1POLBKEAP1
SCHEMBL397628 0.82 HPGD (0.56) ALDH1A1SMN1; SMN2KEAP1
SCHEMBL396993 0.82 ALDH1A1 (0.58) ALDH1A1
SCHEMBL13513281 0.81 ALDH1A1 (0.54) ALDH1A1NR3C1SMN1; SMN2POLBROCK1
SCHEMBL2767849 0.79 POLB (0.57) ALDH1A1NR3C1SMN1; SMN2POLBROCK1
Hydrochloric Acid SCHEMBL27533178 0.79 ALDH1A1 (0.53) ALDH1A1NR3C1SMN1; SMN2POLBROCK1
SCHEMBL15834340 0.79 ROCK1 (0.54) ALDH1A1NR3C1SMN1; SMN2POLBROCK1
SCHEMBL18722495 0.78 ROCK1 (0.53) ALDH1A1NR3C1SMN1; SMN2POLBROCK1

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