SCHEMBL29400712

SCHEMBL29400712

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.48
▸ ATM Q13315 2/20 0.48
▸ POLB P06746 4/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KLK7 P49862 2/20 0.46
▸ KLK5 Q9Y337 2/20 0.46
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ ACE P12821 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
SCHEMBL3754005 1.00 TDP1 (0.48) TDP1ATMPOLBNPSR1MEN1
SCHEMBL9931542 1.00 TDP1 (0.48) TDP1ATMPOLBNPSR1MEN1
SCHEMBL12604209 0.97 MEN1 (0.48) TDP1ATMPOLBNPSR1MEN1
SCHEMBL30895563 0.97 MEN1 (0.48) TDP1ATMPOLBNPSR1MEN1
SCHEMBL18206801 0.94 CA1 (0.49) TDP1ATMPOLBNPSR1MEN1
SCHEMBL18206800 0.94 CA1 (0.49) TDP1ATMPOLBNPSR1MEN1
SCHEMBL15893373 0.93 TDP1 (0.44) TDP1ATMPOLBNPSR1MEN1
SCHEMBL18978546 0.91 TDP1 (0.42) TDP1ATMPOLBNPSR1MEN1
SCHEMBL15698479 0.91 KLK7 (0.40) TDP1ATMPOLBNPSR1MEN1
SCHEMBL21901505 0.91 MEN1 (0.44) TDP1ATMPOLBNPSR1MEN1

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 10 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
EP-4392402-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2024-07-03 — — EP disclosed
US-20240115710-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2024-04-11 — — US disclosed
US-11896670-B2 Synthesis routes to access MDMA prodrugs by using controlled and non-controlled intermediates Mind Medicine, Inc. (US) 2024-02-13 — — US 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-20230066171-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 — — US disclosed
WO-2023028022-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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