SCHEMBL4625910

SCHEMBL4625910

CCC(C)Oc1ccc(P(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(OC(C)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DHODH Q02127 1/20 0.33
ACACB O00763 3/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ELANE P08246 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4625923 0.85 FFAR4 (0.40) POLBMAPTHPGDKMT2ANPSR1
SCHEMBL4629635 0.78 FOS (0.37) SMN1; SMN2ACACBMAPTHPGDLMNA
SCHEMBL19180233 0.77 NPC1 (0.43) SMN1; SMN2MAPTHPGDMEN1LMNA
SCHEMBL4625913 0.76 MAPK1 (0.42) SMN1; SMN2ITGB1ITGA4NPSR1TDP1
SCHEMBL29424084 0.75 ITGB1 (0.47) ITGB1ITGA4
Lithium SCHEMBL7179682 0.75 ACACB (0.34) HDAC1HDAC2HDAC8SMN1; SMN2DHODH
SCHEMBL1853827 0.75 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7179676 0.75 ACACB (0.34) HDAC1HDAC2HDAC8SMN1; SMN2DHODH
SCHEMBL4626345 0.75 ITGB1 (0.35) HDAC1HDAC2HDAC8SMN1; SMN2DHODH
SCHEMBL4625104 0.74 ITGB1 (0.46) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215044-B1 A laser engravable flexographic printing element and a method for forming a printing plate from the element DU PONT (US) 2008-05-21 EP claimed