SCHEMBL29478036

SCHEMBL29478036

CC(C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.43
▸ NMT2 O60551 4/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.37
▸ QRFPR Q96P65 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ CTSB P07858 1/20 0.35

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
SCHEMBL6891220 0.90 OPRM1 (0.38) NMT1NMT2OPRM1OPRD1
SCHEMBL6891224 0.90 OPRM1 (0.38) NMT1NMT2OPRM1OPRD1
SCHEMBL6891205 0.90 OPRD1 (0.37) NMT1NMT2OPRM1OPRD1NPSR1
SCHEMBL6891219 0.90 OPRD1 (0.37) NMT1NMT2OPRM1OPRD1NPSR1
SCHEMBL38663399 0.88 OPRM1 (0.44) NMT1NMT2OPRM1OPRD1QRFPR
SCHEMBL29706123 0.88 OPRM1 (0.44) NMT1NMT2OPRM1OPRD1QRFPR
SCHEMBL30728875 0.87 NPSR1 (0.40) NMT1NMT2NPSR1
SCHEMBL29921636 0.86 NMT2 (0.42) NMT1NMT2OPRM1OPRD1QRFPR
SCHEMBL29372719 0.86 TGFBR1 (0.42) NMT1NMT2OPRM1OPRD1QRFPR
SCHEMBL29671504 0.85 NMT2 (0.40) NMT1NMT2OPRM1OPRD1QRFPR

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
CN-114163533-A Phycocyanin/chimeric calcitonin fusion gene, fusion protein, recombinant plasmid, transgenic saccharomyces cerevisiae and application 潍坊医学院 2022-03-11 — — CN disclosed
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