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Sugi Predict / Compounds / SCHEMBL29679610

SCHEMBL29679610

SCHEMBL29679610

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.58
▸ CALCR P30988 4/20 0.57
▸ RAMP1 O60894 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ KEAP1 Q14145 1/20 0.55
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NPY2R P49146 4/20 0.49
▸ NPY4R P50391 4/20 0.49
▸ NPY5R Q15761 4/20 0.49
▸ NPY1R P25929 3/20 0.49
▸ F2 P00734 1/20 0.49
▸ BACE1 P56817 1/20 0.49

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
SCHEMBL30432401 0.88 CALCR (0.61) CALCRLCALCRMAPK8MAPK9MAPK10
SCHEMBL31000906 0.87 CALCR (0.59) CALCRLCALCRMAPK8MAPK9MAPK10
SCHEMBL30712880 0.86 CALCR (0.61) CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30906453 0.86 CALCR (0.61) CALCRMAPK8MAPK9MAPK10EP300
SCHEMBL31000879 0.86 CALCRL (0.60) CALCRLCALCRRAMP1KEAP1EP300
SCHEMBL30277935 0.86 CALCR (0.61) CALCRLCALCREP300HIF1AF2
SCHEMBL30353299 0.85 SLC6A2 (0.55) CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL31182878 0.85 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29679560 0.85 CALCRL (0.59) CALCRLCALCRMAPK8MAPK9MAPK10
SCHEMBL29399811 0.85 CALCRL (0.64) CALCRLCALCRRAMP1KEAP1BACE1

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-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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