SCHEMBL22745264

SCHEMBL22745264

CC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3ccccc3-c3ccc(C(=O)c4cccnc4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.40
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL22745282 0.90 PDK2 (0.39) PDK2CYP1A2CYP3A4KCNQ2CYP2C9
SCHEMBL22745261 0.88 PDK2 (0.51) PDK2
SCHEMBL22745107 0.88 PDK2 (0.38) PDK2CYP1A2CYP3A4KCNQ2CYP2C9
SCHEMBL22745101 0.85 PDK2 (0.42) PDK2CYP1A2CYP3A4KCNQ2CYP2C9
SCHEMBL22745269 0.85 ADORA2A (0.36) PDK2CYP1A2CYP3A4KCNQ2CYP2C9
SCHEMBL22745165 0.84 PDK2 (0.47) PDK2TDP1RAB9AMEN1NPC1
SCHEMBL22745253 0.82 LMNA (0.35) PDK2CYP1A2CYP3A4ADORA2AADORA1
SCHEMBL22745256 0.81 MAPK13 (0.38) PDK2
SCHEMBL22745175 0.79 PDK2 (0.50) PDK2TDP1RAB9AMEN1NPC1
SCHEMBL22745171 0.79 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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