SCHEMBL18705368

SCHEMBL18705368

O=C(O)COc1cccc(C(=O)NCCNCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.46
GIGYF2 Q6Y7W6 1/20 0.45
SORT1 Q99523 1/20 0.44
PKM P14618 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CAMK2B Q13554 1/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TPSAB1 Q15661 2/20 0.43
F2 P00734 1/20 0.43
EGFR P00533 1/20 0.43
ITK Q08881 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
PLG P00747 1/20 0.42
HPSE Q9Y251 1/20 0.42
NOXO1 Q8NFA2 1/20 0.42
LY6K Q17RY6 1/20 0.42

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
SCHEMBL18705366 0.93 CSNK2A2 (0.46) FOLH1SORT1PKMCSNK2A2CSNK2B
SCHEMBL18705369 0.91 GIGYF2 (0.47) FOLH1GIGYF2SORT1PKMCSNK2A2
SCHEMBL20519815 0.87 FOLH1 (0.57) FOLH1SORT1PKMCSNK2A2CSNK2B
SCHEMBL18736482 0.85 GIGYF2 (0.53) FOLH1GIGYF2SORT1PKMEGFR
SCHEMBL18705334 0.83 F2 (0.48) FOLH1GIGYF2SORT1PKMCSNK2A2
SCHEMBL20520127 0.83 PRSS1 (0.58) FOLH1SORT1PKMCSNK2A2CSNK2B
SCHEMBL20519966 0.83 PRSS1 (0.58) FOLH1SORT1PKMCSNK2A2CSNK2B
SCHEMBL20519904 0.79 FOLH1 (0.59) FOLH1SORT1PKMCSNK2A2CSNK2B
SCHEMBL18705384 0.79 PRSS1 (0.48) FOLH1GIGYF2SORT1PKMCSNK2A2
SCHEMBL20520128 0.78 PRSS1 (0.56) FOLH1GIGYF2SORT1PKMCSNK2A2

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
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed