SCHEMBL22958581

SCHEMBL22958581

CCCCCCC1(CCCCCC)c2cc(C(=O)c3ccccc3)ccc2-c2cc3c(cc21)C(=O)/C(=N/OC(C)=O)C3

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.35
▸ PDK2 Q15119 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ MMP2 P08253 2/20 0.30
▸ MMP9 P14780 2/20 0.30
▸ MMP8 P22894 2/20 0.30
▸ MMP13 P45452 2/20 0.30
▸ ELANE P08246 1/20 0.30

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
SCHEMBL22958582 0.85 APEX1 (0.36) ALDH1A1CYP2C19
SCHEMBL22958621 0.84 PDK2 (0.37) PTGS2PDK2ALDH1A1
SCHEMBL22958588 0.84 ALDH1A1 (0.35) ALDH1A1CYP2C19
SCHEMBL22958584 0.83 — —
SCHEMBL22958617 0.83 ELANE (0.34) PTGS2PDK2ALDH1A1PTPRCELANE
SCHEMBL22958597 0.82 ALDH1A1 (0.34) ALDH1A1CYP2C19
SCHEMBL22958613 0.82 ALDH1A1 (0.34) ALDH1A1CYP2C19
SCHEMBL22958558 0.82 APEX1 (0.36) ALDH1A1CYP2C19
SCHEMBL22958539 0.81 L3MBTL1 (0.43) ALDH1A1CYP2C19MMP2MMP9MMP8
SCHEMBL17056201 0.81 PDK2 (0.41) PTGS2PDK2CNR2LTB4RALDH1A1

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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