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SCHEMBL10100950

SCHEMBL10100950

Cc1cc(C)c(B(c2ccc(-c3cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)c3)cc2)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ RAPGEF4 Q8WZA2 5/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ PSMB5 P28074 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL7458255 0.96 RAPGEF4 (0.37) ESR1RAPGEF4RXRARXRBPSMB5
SCHEMBL85808 0.96 RAPGEF4 (0.37) ESR1RAPGEF4RXRARXRBPSMB5
SCHEMBL10100958 0.90 MEN1 (0.42) ESR1RAPGEF4PSMB5FFAR4
SCHEMBL85680 0.89 RAPGEF4 (0.42) RAPGEF4PSMB5FFAR4
SCHEMBL17061050 0.86 RAPGEF4 (0.46) RAPGEF4
SCHEMBL22146594 0.85 RAPGEF4 (0.45) RAPGEF4FFAR4
SCHEMBL7461562 0.82 PSMB5 (0.42) PSMB5FFAR4
SCHEMBL18569192 0.82 — —
SCHEMBL7462171 0.81 KDM4E (0.33) —
SCHEMBL17061045 0.81 RXRA (0.59) RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178214-B2 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2012-05-15 — — US disclosed
US-8178214-B2 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2012-05-15 — — US disclosed
US-20070184301-A1 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2007-08-09 — — US disclosed
US-20070184301-A1 Material for organic electroluminescence element, organic electroluminescence element, display device and illumination device KONICA MINOLTA HOLDINGS, INC. (JP) 2007-08-09 — — US disclosed