SCHEMBL28250332

SCHEMBL28250332

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASR P41180 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28250337 1.00 POLB (0.38) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28250335 1.00 POLB (0.38) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249639 0.83 POLB (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249626 0.83 POLB (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249637 0.83 POLB (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249627 0.83 POLB (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249629 0.83 POLB (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28249655 0.80 LMNA (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL28249657 0.80 LMNA (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL28249653 0.80 LMNA (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E

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