SCHEMBL397722

SCHEMBL397722

CCCNS(=O)(=O)c1cccc(/C=C(\C)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
AKR1C3 P42330 4/20 0.46
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEP1B Q16820 1/20 0.41
CA1 P00915 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
SCHEMBL397723 1.00 ATM (0.47) ATMAKR1C3CYP2C19KMT2ACA12
SCHEMBL397006 0.93 ALDH1A1 (0.49) ATMAKR1C3CYP2C19KMT2ACA12
SCHEMBL397007 0.93 ALDH1A1 (0.49) ATMAKR1C3CYP2C19KMT2ACA12
SCHEMBL392886 0.90 AKR1C3 (0.49) ATMAKR1C3CYP2C19KMT2AHDAC3
SCHEMBL392887 0.90 AKR1C3 (0.49) ATMAKR1C3CYP2C19KMT2AHDAC3
SCHEMBL394858 0.84 CA12 (0.53) AKR1C3CYP2C19KMT2ACA12CA9
SCHEMBL394857 0.84 CA12 (0.53) AKR1C3CYP2C19KMT2ACA12CA9
SCHEMBL396715 0.84 AKR1C3 (0.45) ATMAKR1C3CYP2C19HDAC3HDAC4
SCHEMBL396714 0.84 AKR1C3 (0.45) ATMAKR1C3CYP2C19HDAC3HDAC4
SCHEMBL398494 0.82 AKR1C3 (0.53) AKR1C3HDAC3HDAC4HDAC1HDAC7

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