SCHEMBL7603495

SCHEMBL7603495

CCCCCCCC(C([O])CCC)C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
CSNK1E P49674 1/20 0.36
HDAC8 Q9BY41 4/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MMP12 P39900 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7605246 1.00 ALDH1A1 (0.39) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL7608540 0.89 CYP2C19 (0.39) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL11177019 0.77 CSNK1E (0.41) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL18660141 0.76 CSNK1E (0.44) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL7616178 0.76 ALDH1A1 (0.43) ALDH1A1PRSS1CTSGCTRB1CMA1
Hydrogen Peroxide SCHEMBL9456660 0.74 ALDH1A1 (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
Water SCHEMBL11260622 0.74 CSNK1E (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
Water SCHEMBL11573895 0.74 CSNK1E (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL483815 0.74 CSNK1E (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL10726204 0.74 CSNK1E (0.46) ALDH1A1PRSS1CTSGCTRB1CMA1

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
EP-0704437-B1 Red-shifted tris-aryl-s-triazines and compositions stabilized therewith CIBA SC HOLDING AG (CH) 2002-09-25 EP disclosed
EP-0704437-A2 Red-shifted tris-aryl-s-triazines and compositions stabilized therewith CIBA-GEIGY AG (CH) 1996-04-03 EP disclosed