SCHEMBL28529766

SCHEMBL28529766

CCCCCCCC(=NO)C(=O)c1ccc2c(c1)C(CCC)(CCC)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.39
▸ PDK2 Q15119 8/20 0.39
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ PGR P06401 2/20 0.34
▸ HSD17B3 P37058 4/20 0.33
▸ SOAT1 P35610 1/20 0.33

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
SCHEMBL28525737 1.00 APEX1 (0.39) APEX1PDK2CES2CES1PGR
SCHEMBL24490462 0.87 PDK2 (0.36) APEX1PDK2CES2CES1
SCHEMBL24490485 0.87 PDK2 (0.36) APEX1PDK2CES2CES1
SCHEMBL18838969 0.85 PDK2 (0.38) APEX1PDK2
SCHEMBL18812926 0.85 PDK2 (0.38) APEX1PDK2
SCHEMBL18812925 0.85 PDK2 (0.38) APEX1PDK2
SCHEMBL28228004 0.84 HSD17B3 (0.47) APEX1PDK2CES2CES1HSD17B3
SCHEMBL28228075 0.84 HSD17B3 (0.47) APEX1PDK2CES2CES1HSD17B3
SCHEMBL24490481 0.83 PDK2 (0.36) APEX1PDK2CES2CES1
SCHEMBL14768863 0.82 PDK2 (0.45) APEX1PDK2CES2CES1

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
CN-108290828-B Oxime ester compound having excellent thermal stability, photopolymerization initiator containing the same, and photosensitive resin composition 京仁洋行股份有限公司 2021-01-26 — — CN disclosed
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