SCHEMBL28477169

SCHEMBL28477169

[CH2]c1ccc(CCCCCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.41
HIF1A Q16665 3/20 0.40
EPAS1 Q99814 2/20 0.40
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 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
SCHEMBL8582911 0.92 GRIN2D (0.44) FUT7HIF1AESR1ADRA2AADORA3
Hydrogen Peroxide SCHEMBL29262757 0.85 GRIN2D (0.49) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL4218300 0.83 HTT (0.35) LMNAKDM4EGRIN2DGRIN2AGRIN2B
SCHEMBL28370364 0.82 ESR1 (0.44) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL2458605 0.82 IGF1R (0.48) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL28756393 0.82 ESR1 (0.44) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL10639385 0.82 IGF1R (0.48) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL9694171 0.82 IGF1R (0.48) FUT7HIF1AEPAS1ESR1ADRA2A
SCHEMBL7864094 0.80 KCNH2 (0.49) SLC6A2SLC6A3
SCHEMBL11359238 0.80 MAOB (0.55) FUT7HIF1AEPAS1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276446-B Polysubstituted pentavalent quaternary cyclic phosphorus derivative without heteroatom substituent, synthetic method and application thereof 三峡大学 2020-10-02 CN disclosed