SCHEMBL22745101

SCHEMBL22745101

CC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3ccccc3-c3ccc(C(=O)C(C)(C)O)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.42
▸ KCNQ2 O43526 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APEX1 P27695 1/20 0.37

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
SCHEMBL22745171 0.93 PDK2 (0.35) PDK2
SCHEMBL22745261 0.92 PDK2 (0.51) PDK2APEX1
SCHEMBL22745428 0.89 PDK2 (0.49) PDK2APEX1
SCHEMBL22745165 0.89 PDK2 (0.47) PDK2
SCHEMBL22745268 0.88 PDK2 (0.41) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL23567420 0.88 NPC1 (0.40) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL22745256 0.88 MAPK13 (0.38) PDK2
SCHEMBL22745087 0.87 PDK2 (0.41) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL23567373 0.87 KCNQ2 (0.42) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL29546340 0.87 KCNQ2 (0.42) PDK2KCNQ2CYP1A2CYP3A4CYP2C9

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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