Sugi Predict

Sugi Predict / Compounds / SCHEMBL29679669

SCHEMBL29679669

SCHEMBL29679669

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ XIAP P98170 1/20 0.42
▸ CALCR P30988 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ ENPEP Q07075 5/20 0.42
▸ NTSR2 O95665 2/20 0.42
▸ NTSR1 P30989 2/20 0.42
▸ SORT1 Q99523 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ RAMP1 O60894 1/20 0.41

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
SCHEMBL29679838 0.95 CALCRL (0.43) CALCRLF2XIAPCALCRMAPK8
SCHEMBL29679565 0.95 XIAP (0.44) CALCRLF2XIAPMAPK8MAPK9
SCHEMBL29680178 0.95 CALCRL (0.45) CALCRLF2XIAPCALCRNTSR2
SCHEMBL29679788 0.88 F2 (0.54) F2CALCRNTSR2NTSR1SORT1
SCHEMBL30712880 0.83 CALCR (0.61) F2CALCR
SCHEMBL25524242 0.82 AGTR2 (0.50) CALCRLXIAPENPEPNTSR2NTSR1
SCHEMBL22484305 0.82 XIAP (0.50) CALCRLXIAPENPEPNTSR2NTSR1
SCHEMBL22484304 0.82 XIAP (0.50) CALCRLXIAPENPEPNTSR2NTSR1
SCHEMBL25524189 0.79 XIAP (0.53) CALCRLXIAPENPEPNTSR2NTSR1
SCHEMBL31514062 0.79 PTPN1 (0.44) CALCRLF2CALCRMAPK8MAPK9

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 2 patents. 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 claimed
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
Send feedback