SCHEMBL22958600

SCHEMBL22958600

CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)CCC/C(=N\OC(C)=O)C4=O)C(=O)/C(=N/OC(C)=O)CCC3

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ ATG4B Q9Y4P1 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
SCHEMBL22958549 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL22958597 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22958613 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22958588 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL22958558 0.82 APEX1 (0.36) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL22958628 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22958582 0.78 APEX1 (0.36) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL22958619 0.78 LMNA (0.35) MAPTALDH1A1KMT2ATDP1LMNA
SCHEMBL22958551 0.74 — —
SCHEMBL22958595 0.72 CYP2C19 (0.39) ALDH1A1KDM4E

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
Send feedback