SCHEMBL28249653

SCHEMBL28249653

C#C[C@H](OC[C@H](C)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.40
ADRA2C P18825 2/20 0.40
ADRA2A P08913 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
CYP2D6 P10635 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.34
ADRA1A P35348 1/20 0.34
RGS12 O14924 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL28249655 1.00 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL28249657 1.00 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL28250335 0.80 POLB (0.38) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28250337 0.80 POLB (0.38) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28250332 0.80 POLB (0.38) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28249639 0.79 POLB (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28249627 0.79 POLB (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28249626 0.79 POLB (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28249629 0.79 POLB (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28249637 0.79 POLB (0.37) LMNAKDM4EALDH1A1MEN1KMT2A

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
CN-108722484-B Composition for preparing propargyl ether 四川大学 2021-04-27 CN disclosed
CN-108722484-A A kind of composition preparing propargyl ether 四川大学 2018-11-02 CN disclosed