SCHEMBL22958592

SCHEMBL22958592

CCCCC1(CCCC)c2cc(C(=O)CCC3CCCC3)ccc2-c2cc3c(cc21)C(=O)CCC3

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ ACHE P22303 13/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ HTR4 Q13639 2/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL28403051 0.84 PDK2 (0.41) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL28704196 0.80 MAPT (0.43) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL22958591 0.76 MAOA (0.41) GAA
SCHEMBL28525726 0.73 PTGS2 (0.47) PTGS1PTGS2
SCHEMBL24426190 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL22958577 0.71 PBRM1 (0.38) —
SCHEMBL24858669 0.71 MEN1 (0.39) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21024763 0.71 PDK2 (0.42) ALDH1A1PTGS1PTGS2
SCHEMBL22989401 0.70 MEN1 (0.38) ACHENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22958580 0.69 PBRM1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021023144-A1 FLUORENOXIME ESTER COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 常州强力电子新材料股份有限公司 2021-02-11 — — WO disclosed
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