SCHEMBL396301

SCHEMBL396301

CCNS(=O)(=O)c1ccccc1C=C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
APEX1 P27695 6/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL396299 1.00 CA12 (0.47) CA12CA9AKR1C3ALDH1A1LMNA
SCHEMBL396807 0.89 CA12 (0.58) CA12CA9AKR1C3LMNACA1
SCHEMBL396804 0.89 CA12 (0.58) CA12CA9AKR1C3LMNACA1
SCHEMBL397449 0.87 CA12 (0.60) CA12CA9AKR1C3ALDH1A1LMNA
SCHEMBL397452 0.87 CA12 (0.60) CA12CA9AKR1C3ALDH1A1LMNA
SCHEMBL393612 0.84 AKR1C3 (0.47) AKR1C3CA1CA2MMP1MMP2
SCHEMBL393614 0.84 AKR1C3 (0.47) AKR1C3CA1CA2MMP1MMP2
SCHEMBL397623 0.81 CA12 (0.47) CA12CA9AKR1C3ALDH1A1CA1
SCHEMBL397625 0.81 CA12 (0.47) CA12CA9AKR1C3ALDH1A1CA1
SCHEMBL398252 0.80 AKR1C3 (0.44) AKR1C3ALDH1A1APEX1

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