SCHEMBL22745163

SCHEMBL22745163

COC(C)(C)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)OC)cc3)c3cc(C(=O)c4ccccc4)ccc3-c3ccc(C(=O)C(C)(C)OC)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.44
▸ PPARG P37231 3/20 0.40
▸ ATM Q13315 1/20 0.38
▸ ACHE P22303 4/20 0.37
▸ BCHE P06276 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ ELANE P08246 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CES1 P23141 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL22745162 0.90 PDK2 (0.43) PDK2CYP1A2
SCHEMBL22745165 0.87 PDK2 (0.47) PDK2PPARGATMACHEABCC9
SCHEMBL22745419 0.86 PDK2 (0.37) PDK2PPARGHPGDALDH1A1SMN1; SMN2
SCHEMBL22745261 0.83 PDK2 (0.51) PDK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL22745175 0.82 PDK2 (0.50) PDK2PPARGATML3MBTL1CNR2
SCHEMBL22745179 0.79 ALDH1A1 (0.46) PDK2ACHEBCHEHPGDALDH1A1
SCHEMBL10944759 0.78 CES1 (0.53) PPARGATMCYP1A2CYP2D6HPGD
SCHEMBL23567583 0.78 PDK2 (0.34) PDK2
SCHEMBL22745114 0.78 PDK2 (0.58) PDK2ATMCYP1A2ALDH1A1L3MBTL1
SCHEMBL22745171 0.76 PDK2 (0.35) PDK2

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-2020238862-A1 FLUORENE INITIATOR, PHOTOCURABLE COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 常州强力先端电子材料有限公司 2020-12-03 — — WO disclosed
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