SCHEMBL28445554

SCHEMBL28445554

CC(C)CCCC(C)Cc1ccc(O)cc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
SLC6A2 P23975 1/20 0.50
ESR1 P03372 6/20 0.48
ESR2 Q92731 6/20 0.48
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.39
CNR1 P21554 1/20 0.38
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL11668767 0.98 TAAR1 (0.52) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL22551071 0.89 TAAR1 (0.50) TAAR1SLC6A2ESR1ESR2SIGMAR1
SCHEMBL29233149 0.83 ESR1 (0.53) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL1425067 0.83 TAAR1 (0.52) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL20489055 0.81 ESR1 (0.46) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL6015483 0.81 ESR1 (0.53) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL2046925 0.81 ESR1 (0.46) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL107575 0.81 TAAR1 (0.46) TAAR1SLC6A2ESR1ESR2SIGMAR1
SCHEMBL27721201 0.81 ESR1 (0.53) TAAR1SLC6A2ESR1ESR2LMNA
SCHEMBL14094377 0.80 ESR1 (0.59) TAAR1SLC6A2ESR1ESR2LMNA

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
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-108383713-B Organic precipitator and preparation method and application thereof 厦门熙途科技有限公司 2020-08-21 CN disclosed