SCHEMBL397253

SCHEMBL397253

C=C(Cc1ccccc1S(=O)(=O)N(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.40
KCNJ6 P48051 4/20 0.40
KCNJ5 P48544 4/20 0.40
KCNJ3 P48549 4/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
MMP2 P08253 4/20 0.39
MMP8 P22894 4/20 0.39
MMP12 P39900 4/20 0.39
MMP13 P45452 4/20 0.39
MMP14 P50281 4/20 0.39
MMP16 P51512 4/20 0.39
MMP9 P14780 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL393613 0.80 CYP1A2 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL392892 0.80 CA1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL11324205 0.80 PTGDR2 (0.45) PTGDR2ALDH1A1HTTMCL1KCNJ6
SCHEMBL396300 0.77 CA12 (0.47) ALDH1A1POLBLMNAMMP2MMP8
SCHEMBL8746636 0.76 AKR1B1 (0.46) ALDH1A1HTTPOLBLMNASMN1; SMN2
SCHEMBL5264048 0.75 ALDH1A1 (0.49) PTGDR2ALDH1A1HTTMCL1KCNJ6
SCHEMBL397624 0.75 ALDH1A1 (0.47) ALDH1A1POLBMMP2MMP8MMP12
SCHEMBL14498350 0.75 ALDH1A1 (0.52) PTGDR2ALDH1A1HTTMCL1KCNJ6
SCHEMBL396805 0.74 CA12 (0.58) ALDH1A1POLBLMNA
SCHEMBL5262176 0.73 ALDH1A1 (0.50) PTGDR2ALDH1A1HTTMCL1KCNJ6

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