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SCHEMBL10153623

SCHEMBL10153623

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8c9ccccc9c(-c9cccc(F)c9)c9ccccc89)ccc6-7)ccc4-5)c4ccccc34)cc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.54
▸ PGR P06401 6/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP11 Q9NR21 1/20 0.36

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
SCHEMBL10153298 1.00 PDK2 (0.54) PDK2PGRTAAR1ESR2PARP10
SCHEMBL10153559 0.99 PDK2 (0.53) PDK2PGRTAAR1ESR2PARP10
SCHEMBL10153964 0.99 PDK2 (0.53) PDK2PGRTAAR1ESR2PARP10
SCHEMBL10153426 0.99 PDK2 (0.52) PDK2PGRTAAR1ESR2
SCHEMBL10153393 0.99 PDK2 (0.52) PDK2PGRTAAR1ESR2
SCHEMBL14600377 0.97 PDK2 (0.51) PDK2PGRTAAR1ESR2
SCHEMBL10153236 0.97 PDK2 (0.51) PDK2PGRTAAR1ESR2
SCHEMBL10153582 0.96 PDK2 (0.51) PDK2PGRTAAR1ESR2PARP10
SCHEMBL10153620 0.94 PDK2 (0.50) PDK2PGRTAAR1ESR2PARP10
SCHEMBL10153908 0.94 PDK2 (0.49) PDK2PGRTAAR1ESR2PARP10

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