SCHEMBL28293993

SCHEMBL28293993

CCCCC(CC)Cc1ccc(O)cc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 4/20 0.50
ALDH1A1 P00352 5/20 0.47
SLC6A2 P23975 3/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47
TST Q16762 1/20 0.47

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
SCHEMBL105942 0.98 ESR1 (0.51) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL16637739 0.93 ESR1 (0.52) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL27770809 0.91 ESR1 (0.55) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL28370316 0.91 ESR1 (0.49) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL983046 0.91 ESR1 (0.55) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL153634 0.89 BDKRB2 (0.48) ALDH1A1CYP3A4LMNAKDM4EHSD17B10
SCHEMBL29233151 0.87 ESR1 (0.56) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL17082269 0.87 ESR1 (0.53) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL11665727 0.86 ESR1 (0.56) ESR1ESR2ALDH1A1SLC6A2ADRA2A
SCHEMBL27770875 0.86 ESR1 (0.56) ESR1ESR2ALDH1A1SLC6A2ADRA2A

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
CN-109666792-B Rare earth extractant and method for separating rare earth yttrium 厦门熙途科技有限公司 2020-12-01 CN disclosed
CN-109750160-B Mixed extracting agent and method for separating rare earth yttrium 厦门稀土材料研究所 2020-12-01 CN disclosed
CN-109750160-A Mixed extracting agent and method for separating rare earth yttrium 厦门稀土材料研究所 2019-05-14 CN disclosed
CN-109666792-A A kind of method of rare-earth extractant and rare-earth separating yttrium 厦门熙途科技有限公司 2019-04-23 CN disclosed