SCHEMBL28146359

SCHEMBL28146359

CC(OC(C)(C)C)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.47
KMT2A Q03164 2/20 0.46
MDM4 O15151 2/20 0.44
TP53 P04637 2/20 0.44
EPHX2 P34913 1/20 0.44
PIN1 Q13526 1/20 0.42

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
SCHEMBL26845777 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29658885 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30089284 0.89 CASP3 (0.55) CASP3KMT2AMDM4TP53
SCHEMBL119194 0.89 CASP3 (0.55) CASP3KMT2AMDM4TP53
SCHEMBL21986633 0.87 CASP3 (0.49) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13395717 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13395710 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3307488 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3307485 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL15960134 0.86 KMT2A (0.52) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
CN-114685608-A Cyclic peptide compound containing trithioether bond or derivative thereof, and synthetic method and application thereof 北京大学深圳研究生院 2022-07-01 CN disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
CN-106631900-A Synthesis method of Fmoc-O-tert-butyl-L-threoninol 吉尔生化(上海)有限公司 2017-05-10 CN disclosed
CN-106631900-A Synthesis method of Fmoc-O-tert-butyl-L-threoninol 吉尔生化(上海)有限公司 2017-05-10 CN disclosed