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SCHEMBL9968232

SCHEMBL9968232

CCC(C)(C)c1cnc2c(c1)c1cccnc1n2-c1ccc([Si](c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)(c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)c2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.38
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ AKT3 Q9Y243 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL9968252 0.80 PPARG (0.32) PPARG
SCHEMBL9968048 0.69 FEN1 (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL15762303 0.68 FEN1 (0.41) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL9968266 0.68 PGR (0.35) PPARG
SCHEMBL9968127 0.67 FEN1 (0.41) AKT1AKT2AKT3
SCHEMBL9968248 0.66 PGR (0.34) PPARG
SCHEMBL9968211 0.65 PTGER4 (0.36) —
SCHEMBL22853579 0.64 KIF11 (0.43) —
SCHEMBL22853580 0.64 KIF11 (0.43) —
SCHEMBL17463361 0.64 KDM4E (0.45) PPARGPDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed