SCHEMBL397449

SCHEMBL397449

CCCCNS(=O)(=O)c1ccccc1/C=C(\C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA9 Q16790 3/20 0.60
RECQL P46063 1/20 0.51
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
FABP4 P15090 1/20 0.40
AKR1C3 P42330 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL397452 1.00 CA12 (0.60) CA12CA9RECQLEPHX2ALDH1A1
SCHEMBL396807 0.92 CA12 (0.58) CA12CA9RECQLEPHX2AKR1C3
SCHEMBL396804 0.92 CA12 (0.58) CA12CA9RECQLEPHX2AKR1C3
SCHEMBL396301 0.87 CA12 (0.47) CA12CA9ALDH1A1KMT2AAKR1C3
SCHEMBL396299 0.87 CA12 (0.47) CA12CA9ALDH1A1KMT2AAKR1C3
SCHEMBL393614 0.79 AKR1C3 (0.47) TSHRCYP1A2AKR1C3MAPT
SCHEMBL393612 0.79 AKR1C3 (0.47) TSHRCYP1A2AKR1C3MAPT
SCHEMBL397623 0.77 CA12 (0.47) CA12CA9ALDH1A1TSHRCYP3A4
SCHEMBL397625 0.77 CA12 (0.47) CA12CA9ALDH1A1TSHRCYP3A4
SCHEMBL397043 0.76 ALDH1A1 (0.48) CA12CA9EPHX2ALDH1A1TSHR

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