SCHEMBL397724

SCHEMBL397724

C=C(Cc1cccc(S(=O)(=O)NCCC)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.48
ALDH1A1 P00352 1/20 0.47
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
PRMT1 Q99873 1/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.43
ROCK1 Q13464 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 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
SCHEMBL397008 0.93 ALDH1A1 (0.49) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL392888 0.90 ALDH1A1 (0.45) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL18151701 0.87 AKR1C3 (0.52) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL398496 0.84 POLB (0.44) AKR1C3HDAC2HDAC8HDAC6HTT
SCHEMBL394859 0.84 CA12 (0.53) ALDH1A1CYP2C19KMT2ACA12CA9
SCHEMBL398535 0.81 KDM4E (0.52) AKR1C3ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL395829 0.80 ALDH1A1 (0.45) ALDH1A1CYP2C19CA12CA9NPSR1
SCHEMBL396990 0.79 HTR6 (0.59) ALDH1A1HDAC2HDAC8HDAC6KMT2A
SCHEMBL3713687 0.79 KMT2A (0.56) AKR1C3ALDH1A1KMT2APRMT1CA12
SCHEMBL17049845 0.77 KMT2A (0.65) ALDH1A1CYP2C19KMT2APRMT1ATM

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