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Sugi Predict / Compounds / SCHEMBL10153585

SCHEMBL10153585

SCHEMBL10153585

CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6cc(F)ccc6-7)c6ccccc56)ccc3-4)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.43
▸ ACHE P22303 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PGR P06401 4/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ SQOR Q9Y6N5 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
SCHEMBL10153417 0.97 PDK2 (0.41) PDK2ACHEDHODHPGRPTGS2
SCHEMBL10153263 0.97 PDK2 (0.41) PDK2ACHEPGRPTGS2SQOR
SCHEMBL10153498 0.96 PDK2 (0.39) PDK2ACHEDHODHPTGS2PTGS1
SCHEMBL10153398 0.96 ACHE (0.40) PDK2ACHEDHODHPGRPTGS2
SCHEMBL10153501 0.94 ACHE (0.39) PDK2ACHEDHODHPGRPTGS2
SCHEMBL13816318 0.91 PDK2 (0.49) PDK2PGR
SCHEMBL10153582 0.90 PDK2 (0.51) PDK2PGR
SCHEMBL14600413 0.90 PDK2 (0.46) PDK2ACHEPGRPTGS2
SCHEMBL10153224 0.90 PDK2 (0.46) PDK2ACHEPGRPTGS2SQOR
SCHEMBL10153620 0.89 PDK2 (0.50) PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 — — EP disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed