SCHEMBL4686502

SCHEMBL4686502

O=C(O)C1C2CCCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
TFPI2 P48307 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APEX1 P27695 1/20 0.42
GMNN O75496 1/20 0.42
PMP22 Q01453 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
GRM2 Q14416 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRM1 Q13255 1/20 0.39
PEPD P12955 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PPP1CA P62136 1/20 0.31

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
SCHEMBL850229 0.97 POLB (0.43) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL893248 0.94 POLB (0.42) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL967161 0.91 POLB (0.48) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL29950626 0.86 POLB (0.40) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL22660589 0.86 POLB (0.40) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL4968055 0.84 POLB (0.48) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL12226905 0.84 POLB (0.48) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL16909909 0.84 POLB (0.48) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL1664043 0.84 POLB (0.48) POLBTFPI2TDP1LMNAKDM4E
SCHEMBL30260024 0.83 TFPI2 (0.44) POLBTFPI2TDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510785-B Nitrogen-containing heterocyclic compound and application thereof 凌科药业(杭州)有限公司 2025-03-18 CN disclosed
EP-4519273-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2025-03-12 EP disclosed
EP-4499634-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS Nikang Therapeutics, Inc. (US) 2025-02-05 EP disclosed
CN-118510785-A Nitrogen-containing heterocyclic compound and application thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
WO-2024051852-A1 PYRIMIDINE-CONTAINING POLYCYCLIC BIOLOGICAL INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-03-14 WO disclosed
CN-117677624-A Novel pyridopyrimidine derivatives 上海艾力斯医药科技股份有限公司 2024-03-08 CN disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2023215906-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS HANGZHOU JIJING PHARMACEUTICALTECHNOLOGY LIMITED (CN) 2023-11-09 WO disclosed
WO-2023197984-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND 成都海博为药业有限公司 2023-10-19 WO disclosed
WO-2023192801-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023001123-A1 NEW PYRIDOPYRIMIDINE DERIVATIVE 上海艾力斯医药科技股份有限公司 2023-01-26 WO disclosed
WO-2022228568-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-11-03 WO disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
WO-2021238908-A1 SALT AND CRYSTAL FORM OF HETEROARYL DERIVATIVE, AND PREPARATION METHOD THEREFOR 上海翰森生物医药科技有限公司 2021-12-02 WO disclosed
EP-1989202-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-11-12 EP disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007093604-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-23 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed