SCHEMBL5367473

SCHEMBL5367473

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.41
▸ REN P00797 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ OPRD1 P41143 5/20 0.40
▸ F2 P00734 4/20 0.40
▸ NTSR1 P30989 1/20 0.39

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
SCHEMBL5367479 0.96 F2 (0.42) RENOPRD1F2NTSR1
SCHEMBL5367232 0.89 CXCR4 (0.46) —
SCHEMBL5384105 0.86 CXCR4 (0.45) —
SCHEMBL5369685 0.85 CXCR4 (0.45) —
SCHEMBL5367237 0.85 CXCR4 (0.48) —
SCHEMBL29814609 0.84 REN (0.41) RENOPRD1F2NTSR1
SCHEMBL20888357 0.84 REN (0.40) PTPN1RENOPRD1NTSR1
SCHEMBL31297108 0.83 REN (0.46) RENOPRD1NTSR1
SCHEMBL30445992 0.82 CASP3 (0.39) OPRD1F2NTSR1
SCHEMBL5384108 0.82 CXCR4 (0.47) —

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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