SCHEMBL23599303

SCHEMBL23599303

CC(C)(C)OC(=O)COc1ccc(CC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL13141369 0.86 PTPN1 (0.50) PTPN1TDP1L3MBTL1SMN1; SMN2NPSR1
SCHEMBL12697638 0.86 PLA2G4B (0.56) PTPN1SMN1; SMN2KDM4EPSEN1PSEN2
SCHEMBL12687790 0.85 SMN1; SMN2 (0.54) PTPN1TDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6225351 0.84 PTPN1 (0.51) PTPN1L3MBTL1SMN1; SMN2PSEN1PSEN2
SCHEMBL198467 0.84 PTPN1 (0.60) PTPN1L3MBTL1SMN1; SMN2NPSR1LMNA
SCHEMBL20441148 0.84 PTPN1 (0.48) PTPN1TDP1L3MBTL1SMN1; SMN2NPSR1
SCHEMBL23599248 0.83 TDP1 (0.52) TDP1L3MBTL1SMN1; SMN2NPSR1LMNA
SCHEMBL8752337 0.83 CYP1A2 (0.52) PTPN1SMN1; SMN2NPSR1LMNAKDM4E
SCHEMBL3203038 0.83 PTPN1 (0.52) PTPN1L3MBTL1SMN1; SMN2LMNACYP1A2
SCHEMBL12687868 0.82 HDAC6 (0.58) PTPN1SMN1; SMN2KDM4ECYP1A2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901653-B Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-11-22 — — CN disclosed
EP-4074701-B1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEMICAL LTD (KR) 2023-12-13 — — EP disclosed
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 — — CN disclosed
WO-2021133038-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF 주식회사 엘지화학 2021-07-01 — — WO disclosed
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