SCHEMBL18012723

SCHEMBL18012723

CCC1(CC)c2cc(C(=O)/C(C)=N/O)ccc2-c2c(C#N)cc(C(=O)/C(C)=N/O)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK2 Q15119 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18012717 0.87 PDK2 (0.32) POLBMAPTSMN1; SMN2PDK2ALDH1A1
SCHEMBL18012644 0.84 MAPT (0.48) POLBMAPTSMN1; SMN2PDK2
SCHEMBL18012766 0.80 GAA (0.38) PDK2
SCHEMBL18012643 0.79 HCAR3 (0.39) POLBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL29089351 0.78 POLB (0.43) POLBMAPTSMN1; SMN2PDK2
SCHEMBL30617329 0.78 POLB (0.43) POLBMAPTSMN1; SMN2PDK2
SCHEMBL18235861 0.78 POLB (0.43) POLBMAPTSMN1; SMN2PDK2
SCHEMBL18012767 0.76 PKM (0.33) MAPTPDK2ALDH1A1HPGD
SCHEMBL19186415 0.76 ALK (0.31) —
SCHEMBL18012760 0.73 POLB (0.38) POLBMAPTSMN1; SMN2PDK2ALDH1A1

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-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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