SCHEMBL18012722

SCHEMBL18012722

CCC(=O)c1ccc2c(c1)C(CC)(CC)c1cc(C(=O)CC)cc(C#N)c1-2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ PGR P06401 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALK Q9UM73 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
SCHEMBL18012766 0.81 GAA (0.38) PDK2MEN1KMT2A
SCHEMBL18012723 0.81 POLB (0.38) PDK2ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL18012811 0.81 ATM (0.44) PDK2RAB9AALDH1A1HPGDATM
SCHEMBL18012767 0.80 PKM (0.33) PDK2ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18012717 0.78 PDK2 (0.32) PDK2ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL18012637 0.77 ALDH1A1 (0.40) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL18012749 0.74 PDK2 (0.44) PDK2ATMMAPTSMN1; SMN2L3MBTL1
SCHEMBL28358222 0.74 HSD17B3 (0.45) RAB9AALDH1A1HPGDATMMAPT
SCHEMBL30617326 0.74 PDK2 (0.44) PDK2ATMMAPTSMN1; SMN2L3MBTL1
SCHEMBL21551833 0.73 MAPT (0.38) ALDH1A1HPGDATMMAPTTSHR

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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