SCHEMBL5384108

SCHEMBL5384108

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.47
▸ CASP1 P29466 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP4 P49662 1/20 0.44
▸ CASP5 P51878 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ CASP10 Q92851 1/20 0.44
▸ IL23R Q5VWK5 1/20 0.44
▸ CCKBR P32239 7/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ GIPR P48546 1/20 0.43
▸ CTSH P09668 1/20 0.43
▸ MAGI3 Q5TCQ9 1/20 0.43

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
SCHEMBL5367237 0.97 CXCR4 (0.48) CXCR4CASP1CASP3CASP4CASP5
SCHEMBL5384105 0.96 CXCR4 (0.45) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5372281 0.95 CXCR4 (0.45) CXCR4CASP1CASP3CASP4CASP5
SCHEMBL5367232 0.94 CXCR4 (0.46) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5372278 0.92 CCKBR (0.43) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5369685 0.91 CXCR4 (0.45) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5367479 0.86 F2 (0.42) GLP1RGCGRGIPR
SCHEMBL31191396 0.86 CXCR4 (0.50) CXCR4CASP1CASP3CASP4CASP5
SCHEMBL29800522 0.85 CXCR4 (0.51) CXCR4CASP1CASP3CASP4CASP5
SCHEMBL29904119 0.83 MAGI3 (0.52) CXCR4CASP1CASP3CASP4CASP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169892-B2 Lipid-peptide-polymer conjugates for long blood circulation and tumor specific drug delivery systems ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
EP-1591450-A1 CONJUGATE FOR RETENTION IN BLOOD AND CANCER TISSUE-SPECIFIC DRUG DELIVERY YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-11-02 — — EP disclosed
US-20050054026-A1 Lipid-peptide-polymer conjugates for long blood circulation and tumor specific drug delivery systems YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-10 — — US disclosed
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