SCHEMBL11763539

SCHEMBL11763539

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.54
TAS1R1 Q7RTX1 9/20 0.54
BIRC2 Q13490 3/20 0.51
FOLH1 Q04609 1/20 0.50
POLB P06746 1/20 0.48
MME P08473 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL23106760 1.00 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2FOLH1POLB
Hydrochloric Acid SCHEMBL11660045 0.98 TAS1R3 (0.53) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL3861350 0.86 PPID (0.50) TAS1R3TAS1R1BIRC2POLB
SCHEMBL28142179 0.86 TAS1R3 (0.41) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL3861349 0.86 PPID (0.50) TAS1R3TAS1R1BIRC2POLB
SCHEMBL27827937 0.85 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL14902192 0.85 TAS1R3 (0.54) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL18633379 0.84 TAS1R3 (0.53) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL23051972 0.83 BIRC2 (0.56) TAS1R3TAS1R1BIRC2FOLH1POLB
SCHEMBL12291587 0.83 BIRC2 (0.56) TAS1R3TAS1R1BIRC2FOLH1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed
CN-114736150-B off-DNA and on-DNA synthesis method of arylselenoindole compound 浙江工业大学 2023-03-31 CN disclosed
WO-2023030278-A1 FULL-LIQUID-PHASE SYNTHESIS METHOD FOR REELIN DRUG 湖南三太药业有限公司 2023-03-09 WO disclosed
CN-114736150-A off-DNA and on-DNA synthesis method of arylselenoindole compound 浙江工业大学 2022-07-12 CN disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 WO disclosed
US-4021418-A Method of removing formyl groups from N-formyl-amino acid and N-formyl-peptide esters AJINOMOTO CO., INC. (JA) 1977-05-03 US disclosed