SCHEMBL28448339

SCHEMBL28448339

C=CCCCCCC(CC)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
USP2 O75604 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.37
ABCC4 O15439 1/20 0.37
GAA P10253 2/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LPAR3 Q9UBY5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28404374 0.98 USP2 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29277716 0.94 CA2 (0.43) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL23834436 0.89 TSHR (0.48) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16421155 0.88 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL23833875 0.86 TSHR (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16418495 0.84 MAPT (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3124113 0.84 CPB2 (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16421121 0.84 MAPT (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3125182 0.84 CPB2 (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3119914 0.84 CA1 (0.61) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997551-A Synthesis of EGFR modulators 密歇根大学董事会 2023-11-03 CN disclosed
CN-116783202-A Thienopyrrole compounds 吉利德科学公司 2023-09-19 CN disclosed
CN-115260195-B EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-07-04 CN disclosed
CN-115894489-A Inhibitor of receptor interaction protein kinase 1, preparation method and application thereof 中国药科大学 2023-04-04 CN disclosed
CN-115260195-A EGFR degradation agent 上海齐鲁制药研究中心有限公司 2022-11-01 CN disclosed
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 CN disclosed
CN-107922388-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-12-29 CN disclosed
CN-111886009-A EGFR dimer disruptors and uses thereof 密歇根大学董事会 2020-11-03 CN disclosed
CN-107787323-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-09-01 CN disclosed