SCHEMBL4586831

SCHEMBL4586831

CCCCCCCCCCCCCCCCCCc1ccc2cc3cc4cc(Br)ccc4cc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44
HSPE1 P61604 1/20 0.44
HIF1A Q16665 1/20 0.44
TST Q16762 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2403161 0.97 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9128028 0.97 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2400221 0.97 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31498466 0.95 BDKRB2 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5011027 0.94 ESR1 (0.40) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3720679 0.89 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3721391 0.89 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL21240657 0.89 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3724287 0.89 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29015687 0.89 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed
CN-1950382-A Organosilanes, process for production of the same, and use thereof SHARP KK (JP) 2007-04-18 CN disclosed