SCHEMBL18613464

SCHEMBL18613464

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.54
▸ F2 P00734 5/20 0.46
▸ NTSR1 P30989 4/20 0.44
▸ NTSR2 O95665 1/20 0.44
▸ KEAP1 Q14145 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ ENPEP Q07075 3/20 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
SCHEMBL28290901 0.84 XIAP (0.59) XIAPNTSR1NTSR2PTPN1ACE
SCHEMBL31510128 0.83 XIAP (0.55) XIAPNTSR1NTSR2PTPN1ENPEP
SCHEMBL30532202 0.82 XIAP (0.53) XIAPF2NTSR1NTSR2PTPN1
SCHEMBL30957175 0.81 XIAP (0.51) XIAPF2NTSR1NTSR2
SCHEMBL29931072 0.80 F2 (0.45) F2NTSR1NTSR2ACEREN
SCHEMBL29406315 0.80 XIAP (0.53) XIAPF2NTSR1NTSR2POLB
SCHEMBL29407069 0.80 XIAP (0.52) XIAPF2NTSR1NTSR2ACE
SCHEMBL30957171 0.79 NTSR2 (0.47) XIAPF2NTSR1NTSR2NPY1R
SCHEMBL30957173 0.79 NTSR2 (0.47) XIAPF2NTSR1NTSR2NPY1R
SCHEMBL31307243 0.78 CALCRL (0.44) XIAPNTSR1KEAP1PTPN1

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-11589603-B2 Powdered nutritional product containing branched-chain amino acids and a sugar alcohol ABBOTT LABORATORIES (US) 2023-02-28 — — US disclosed
US-20180255818-A1 POWDERED NUTRITIONAL PRODUCT CONTAINING BRANCHED-CHAIN AMINO ACIDS AND A SUGAR ALCOHOL ABBOTT LABORATORIES 2018-09-13 — — US disclosed
WO-2017044601-A1 POWDERED NUTRITIONAL PRODUCT CONTAINING BRANCHED-CHAIN AMINO ACIDS AND A SUGAR ALCOHOL ABBOTT LABORATORIES (US) 2017-03-16 — — WO disclosed
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