SCHEMBL2128763

SCHEMBL2128763

CCCCC(CCCC)CCC(Oc1ccccc1)S(=O)(=O)O.CCCCCCCCCC(CCCCCCCCC)CCC(Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3840813 0.99 CTRC (0.43) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL3849276 0.96 CA2 (0.40) CTRCALDH1A1ZDHHC2HDAC3HDAC1
SCHEMBL2128284 0.91 CTRC (0.43) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9449525 0.90 CTRC (0.46) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9216951 0.90 CTRC (0.46) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9221213 0.90 CTRC (0.46) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2126384 0.89 CTRC (0.41) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL5833438 0.89 CTRC (0.46) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2126726 0.88 ALDH1A1 (0.40) CTRCPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2126465 0.84 CTRC (0.42) CTRCPRSS1PRSS2PRSS3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249731-B1 Photosensitive composition and negative working lithographic printing plate FUJIFILM CORP (JP) 2012-04-25 EP disclosed
US-6858373-B2 Photosensitive composition and negative working lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2005-02-22 US disclosed
US-20030091933-A1 Photosensitive composition and negative working lithographic printing plate FUJIFILM CORPORATION (JP) 2003-05-15 US disclosed
EP-1249731-A2 Photosensitive composition and negative working lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2002-10-16 EP disclosed