SCHEMBL22745282

SCHEMBL22745282

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.39
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GRM2 Q14416 2/20 0.35
▸ PLOD2 O00469 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22745264 0.90 PDK2 (0.40) PDK2ADORA2AADORA1KCNQ2CYP1A2
SCHEMBL22745107 0.86 PDK2 (0.38) PDK2ADORA2AADORA1KCNQ2CYP1A2
SCHEMBL22745087 0.85 PDK2 (0.41) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL22745112 0.85 PDK2 (0.42) PDK2
SCHEMBL22745269 0.81 ADORA2A (0.36) PDK2ADORA2AADORA1KCNQ2CYP1A2
SCHEMBL22745253 0.81 LMNA (0.35) PDK2ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL22745172 0.80 PDK2 (0.34) PDK2
SCHEMBL22745261 0.78 PDK2 (0.51) PDK2
SCHEMBL23567073 0.77 KCNQ2 (0.40) PDK2KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL23567421 0.76 NPC1 (0.40) 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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