SCHEMBL13668290

SCHEMBL13668290

CC(=O)c1c(Br)cc(C2(c3cc(Br)c(C(C)=O)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PDK2 Q15119 7/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PABPC1 P11940 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ TYMS P04818 1/20 0.33
▸ APEX1 P27695 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
SCHEMBL13668287 0.82 ESR1 (0.57) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL13668288 0.81 ESR1 (0.44) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL2029878 0.78 AKR1C1 (0.57) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL29967186 0.78 AKR1C1 (0.57) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL7739556 0.74 ESR1 (0.59) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL22287234 0.74 MAPT (0.55) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL18932747 0.73 NQO2 (0.42) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL14430921 0.73 PDK2 (0.38) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL6158087 0.73 ESR1 (0.58) ESR1ESR2AKR1C1MAPTMEN1
SCHEMBL8984549 0.73 MAPT (0.53) ESR1ESR2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608309-B2 Resin composition, film and image display device utilizing the resin composition FUJIFILM CORPORATION (JP) 2009-10-27 — — US disclosed
US-7608309-B2 Resin composition, film and image display device utilizing the resin composition FUJIFILM CORPORATION (JP) 2009-10-27 — — US disclosed
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