SCHEMBL28525726

SCHEMBL28525726

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)CCCC3CCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.47
▸ PTGS1 P23219 4/20 0.47
▸ PDK2 Q15119 9/20 0.42
▸ LDLR P01130 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28403051 0.88 PDK2 (0.41) PTGS2PTGS1PDK2APEX1
SCHEMBL28228075 0.83 HSD17B3 (0.47) PDK2APEX1KDM4EL3MBTL1
SCHEMBL28228004 0.83 HSD17B3 (0.47) PDK2APEX1KDM4EL3MBTL1
SCHEMBL25213695 0.82 APEX1 (0.43) PDK2APEX1KDM4EL3MBTL1
SCHEMBL18812919 0.82 APEX1 (0.54) PDK2APEX1KDM4EL3MBTL1
SCHEMBL28528297 0.81 PDK2 (0.41) PDK2APEX1
SCHEMBL18812933 0.79 APEX1 (0.41) PDK2APEX1L3MBTL1
SCHEMBL23805907 0.78 APEX1 (0.47) PDK2APEX1L3MBTL1
SCHEMBL24490442 0.78 PDK2 (0.36) PDK2APEX1L3MBTL1
SCHEMBL28228760 0.78 PDK2 (0.46) PTGS2PTGS1PDK2

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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