SCHEMBL18705384

SCHEMBL18705384

CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)COc1cc(OCC(=O)NCCOCCOCCOCCOCCC(=O)OC(C)(C)C)cc(C(=O)NCCNCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
TPSAB1 Q15661 3/20 0.48
F2 P00734 2/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CAMK2B Q13554 1/20 0.48
SORT1 Q99523 1/20 0.45
PKM P14618 2/20 0.44
FOLH1 Q04609 6/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
GBA1 P04062 1/20 0.42
PLG P00747 2/20 0.42
HSP90AB1 P08238 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
GIGYF2 Q6Y7W6 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL20520180 0.91 PRSS1 (0.55) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18705362 0.90 CSNK2A2 (0.54) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20519818 0.89 FOLH1 (0.53) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20520038 0.87 CSNK2A2 (0.51) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20520124 0.86 CSNK2A2 (0.54) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18705366 0.86 CSNK2A2 (0.46) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18705334 0.85 F2 (0.48) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18705379 0.82 CSNK2A2 (0.48) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20519968 0.82 FOLH1 (0.60) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL29832821 0.81 PKM (0.56) PRSS1PRSS2PRSS3TPSAB1F2

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