SCHEMBL29360974

SCHEMBL29360974

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ FOLH1 Q04609 2/20 0.44
▸ TASP1 Q9H6P5 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 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
SCHEMBL29772029 0.96 OPRM1 (0.46) OPRM1OPRD1FOLH1TASP1KEAP1
SCHEMBL29772026 0.94 FOLH1 (0.45) OPRM1OPRD1FOLH1TASP1KEAP1
SCHEMBL29353451 0.93 FOLH1 (0.44) OPRM1OPRD1FOLH1TASP1KEAP1
SCHEMBL29669901 0.93 FOLH1 (0.47) OPRM1OPRD1FOLH1OPRK1EGFR
SCHEMBL29493327 0.92 OPRM1 (0.45) OPRM1OPRD1TASP1KEAP1OPRK1
SCHEMBL29771973 0.92 FOLH1 (0.44) OPRM1OPRD1FOLH1TASP1KEAP1
SCHEMBL30381811 0.91 FOLH1 (0.46) OPRM1OPRD1FOLH1KEAP1OPRK1
SCHEMBL30320500 0.91 OPRM1 (0.43) OPRM1OPRD1FOLH1OPRK1
SCHEMBL31194150 0.90 FOLH1 (0.49) OPRM1OPRD1FOLH1OPRK1EGFR
SCHEMBL29772133 0.90 FOLH1 (0.49) OPRM1OPRD1FOLH1KEAP1OPRK1

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-2022017309-A1 INSULIN-FC FUSION PROTEIN AND APPLICATION THEREOF 江苏晟斯生物制药有限公司 2022-01-27 — — WO disclosed
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