SCHEMBL23567583

SCHEMBL23567583

COC(C)(C)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)OC)cc3)c3cc(C(=O)C(C)(C)OC)ccc3-c3cc4c(cc32)C(=O)c2ccccc2C4O)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.34
▸ HTR7 P34969 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ MAPT P10636 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
SCHEMBL22745162 0.83 PDK2 (0.43) PDK2
SCHEMBL22745163 0.78 PDK2 (0.44) PDK2
SCHEMBL23567420 0.76 NPC1 (0.40) PDK2HTR7HTR2BMAPT
SCHEMBL22745419 0.75 PDK2 (0.37) PDK2MAPT
SCHEMBL23567421 0.72 NPC1 (0.40) PDK2MAPT
SCHEMBL22745101 0.71 PDK2 (0.42) PDK2
SCHEMBL23567373 0.71 KCNQ2 (0.42) PDK2MAPT
SCHEMBL29546340 0.71 KCNQ2 (0.42) PDK2MAPT
SCHEMBL10944841 0.70 TTR (0.56) HTR7HTR2BMAPT
SCHEMBL23567099 0.70 KCNQ2 (0.41) PDK2MAPT

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-2021121135-A1 PHOTOINITIATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, AND PHOTOCURABLE COMPOSITION 常州强力电子新材料股份有限公司 2021-06-24 — — WO disclosed
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