SCHEMBL28983495

SCHEMBL28983495

CC(C)(C)OC(=O)N1CCC(Oc2cc(C(=O)O)c([N+](=O)[O-])cc2OC2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.49
▸ PDE4B Q07343 3/20 0.46
▸ PDE4D Q08499 3/20 0.46
▸ PDE4A P27815 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TOP2A P11388 1/20 0.43
▸ KDM1A O60341 1/20 0.43

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
SCHEMBL1446568 0.92 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL29686047 0.91 GPR119 (0.54) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL21612824 0.91 GPR119 (0.54) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL28983510 0.91 GPR119 (0.45) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL15363304 0.91 GPR119 (0.45) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL28983519 0.89 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL29686143 0.89 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL5971356 0.85 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL21612833 0.85 PDE4D (0.47) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL1447329 0.84 GPR119 (0.54) GPR119PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803326-B EGFR inhibitor, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-03-26 — — CN disclosed
CN-115803326-A EGFR inhibitor, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-03-14 — — CN disclosed
WO-2022105908-A1 EGFR INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-05-27 — — WO disclosed
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