SCHEMBL18705369

SCHEMBL18705369

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GIGYF2 Q6Y7W6 1/20 0.47
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TPSAB1 Q15661 2/20 0.46
F2 P00734 1/20 0.46
HPSE Q9Y251 1/20 0.45
EGFR P00533 2/20 0.44
ITK Q08881 1/20 0.44
SORT1 Q99523 1/20 0.42
PKM P14618 2/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CAMK2B Q13554 1/20 0.42
FOLH1 Q04609 1/20 0.41
LY6K Q17RY6 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
BTK Q06187 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18705334 0.93 F2 (0.48) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18705368 0.91 FOLH1 (0.46) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20520128 0.88 PRSS1 (0.56) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18736372 0.87 PRSS1 (0.55) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18736358 0.86 GIGYF2 (0.55) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18705366 0.84 CSNK2A2 (0.46) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20519809 0.81 PRSS1 (0.58) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18705384 0.79 PRSS1 (0.48) GIGYF2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20519815 0.78 FOLH1 (0.57) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18736521 0.78 F2 (0.53) GIGYF2PRSS1PRSS2PRSS3TPSAB1

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