SCHEMBL22745112

SCHEMBL22745112

CCC(O)(CC)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(O)(CC)CC)cc3)c3ccccc3-c3ccc(C(=O)c4ccc(C)cc4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.42
▸ SRD5A2 P31213 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL22745087 0.90 PDK2 (0.41) PDK2
SCHEMBL22745258 0.85 CA2 (0.33) PDK2
SCHEMBL22745282 0.85 PDK2 (0.39) PDK2
SCHEMBL22745172 0.84 PDK2 (0.34) PDK2ALDH1A1
SCHEMBL22745261 0.82 PDK2 (0.51) PDK2CNR2
SCHEMBL23567073 0.81 KCNQ2 (0.40) PDK2ALDH1A1LMNA
SCHEMBL23567421 0.80 NPC1 (0.40) PDK2ALDH1A1LMNA
SCHEMBL22745175 0.79 PDK2 (0.50) PDK2CNR2
SCHEMBL22745101 0.78 PDK2 (0.42) PDK2
SCHEMBL22745114 0.78 PDK2 (0.58) PDK2SRD5A2ALDH1A1CNR2

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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