SCHEMBL16639373

SCHEMBL16639373

CC(c1ccc(-c2ccc(Br)cc2)cc1)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc3c(c2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.38
▸ ADCY8 P40145 1/20 0.36
▸ ADCY1 Q08828 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B3 P37058 4/20 0.33
▸ ASIC3 Q9UHC3 3/20 0.33
▸ PNMT P11086 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28282101 0.87 TDP2 (0.46) TDP2ADCY8ADCY1ALDH1A1HSP90AA1
SCHEMBL16658287 0.82 ADRA2A (0.37) TDP2HSD17B3ASIC3CYP11B1CYP11B2
SCHEMBL16639367 0.82 ESR1 (0.50) TDP2ALDH1A1KMT2AKIF11
SCHEMBL29308758 0.79 CYP11B1 (0.46) TDP2ADCY8ADCY1ALDH1A1HSP90AA1
SCHEMBL16450323 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1KIF11TDP1
SCHEMBL20320243 0.76 TDP2 (0.39) TDP2ADCY8ADCY1ALDH1A1HSP90AA1
SCHEMBL15784485 0.76 CYP2A6 (0.50) ALDH1A1KMT2AMAPK1TDP1
SCHEMBL21615922 0.72 CYP11B1 (0.39) TDP2ADCY8ADCY1ALDH1A1HSP90AA1
SCHEMBL18214053 0.72 RARB (0.38) TDP2ADCY8ADCY1MAPK1CYP11B1
SCHEMBL16639363 0.72 HSD17B3 (0.36) ALDH1A1KMT2AHSD17B3KIF11TDP1

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-9391278-B2 Polymer compound, charge-transporting polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, and organic EL light MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-12 — — US disclosed
US-9391278-B2 Polymer compound, charge-transporting polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, and organic EL light MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-12 — — US disclosed
US-20150102334-A1 POLYMER COMPOUND, CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-16 — — US disclosed
US-20150102334-A1 POLYMER COMPOUND, CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-16 — — US disclosed
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