SCHEMBL10100958

SCHEMBL10100958

Cc1cc(C)c(B(c2ccc(-c3cccc(-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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 3/20 0.37
ABCB1 P08183 3/20 0.37
BCR P11274 3/20 0.37
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
MAPT P10636 1/20 0.36
PSMB5 P28074 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.33
DHODH Q02127 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
ENPP3 O14638 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL10100950 0.90 ESR1 (0.36) ESR1PSMB5RAPGEF4FFAR4
SCHEMBL7458255 0.90 RAPGEF4 (0.37) ESR1PSMB5RAPGEF4ALDH1A1LMNA
SCHEMBL85808 0.90 RAPGEF4 (0.37) ESR1PSMB5RAPGEF4ALDH1A1LMNA
SCHEMBL85680 0.84 RAPGEF4 (0.42) PSMB5RAPGEF4FFAR4CA2
SCHEMBL26532582 0.84 MGLL (0.48) ESR1HSD17B1HSD17B2MAPTPSMB5
SCHEMBL13703263 0.82 SMN1; SMN2 (0.38) ESR1MAPTPSMB5CYP2C9ALDH1A1
SCHEMBL17061050 0.81 RAPGEF4 (0.46) RAPGEF4ALDH1A1SMN1; SMN2CA2
SCHEMBL7461562 0.81 PSMB5 (0.42) ABL1ABCB1BCRPSMB5ALDH1A1
SCHEMBL12655435 0.80 MEN1 (0.48) MEN1KMT2AMAPTPSMB5ALDH1A1
SCHEMBL22146594 0.80 RAPGEF4 (0.45) RAPGEF4ALDH1A1FFAR4CA2CA9

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
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