SCHEMBL22745257

SCHEMBL22745257

CCN(CC)C(CC)(Cc1ccccc1)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(CC)(Cc4ccccc4)N(CC)CC)cc3)c3cc(C(=O)c4ccccc4)ccc3-c3ccc(C(=O)C(CC)(Cc4ccccc4)N(CC)CC)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.39
▸ ACHE P22303 9/20 0.36
▸ BCHE P06276 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CTNNB1 P35222 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL22745417 0.95 PDK2 (0.37) PDK2ACHEBCHECTNNB1
SCHEMBL22745183 0.92 PDK2 (0.40) PDK2
SCHEMBL22745164 0.90 PDK2 (0.33) PDK2ACHEBCHE
SCHEMBL22745184 0.88 PDK2 (0.33) PDK2ACHEBCHE
SCHEMBL23567581 0.88 PDK2 (0.35) PDK2ALDH1A1
SCHEMBL22745272 0.87 PDK2 (0.43) PDK2ACHEBCHE
SCHEMBL22745271 0.86 PDK2 (0.35) PDK2ALDH1A1
SCHEMBL22745170 0.85 PDK2 (0.31) PDK2
SCHEMBL23567584 0.85 ELANE (0.34) PDK2ALDH1A1
SCHEMBL23567105 0.83 KCNQ2 (0.35) PDK2ALDH1A1

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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