SCHEMBL392888

SCHEMBL392888

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
AKR1C3 P42330 3/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
ROCK1 Q13464 1/20 0.41
NAMPT P43490 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP2C19 P33261 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
SCHEMBL397724 0.90 AKR1C3 (0.48) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL397008 0.87 ALDH1A1 (0.49) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL398496 0.86 POLB (0.44) AKR1C3HDAC2HDAC8HDAC6HTT
SCHEMBL2766417 0.86 ALDH1A1 (0.52) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL396597 0.83 ALDH1A1 (0.60) ALDH1A1LMNAKMT2A
SCHEMBL398535 0.83 KDM4E (0.52) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL395829 0.82 ALDH1A1 (0.45) ALDH1A1HTTLMNACYP2C19
SCHEMBL396990 0.81 HTR6 (0.59) ALDH1A1HDAC2HDAC8HDAC6KMT2A
SCHEMBL2767340 0.81 CTSG (0.49) ALDH1A1AKR1C3LMNACYP3A4ROCK1
SCHEMBL397249 0.79 CA1 (0.48) ALDH1A1KMT2A

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