SCHEMBL28986947

SCHEMBL28986947

CCC#CCO.c1cc2ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR2F2 P24468 1/20 0.31
TP53 P04637 2/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CYP1A2 P05177 2/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27078 0.83
Potassium Ion SCHEMBL28671648 0.77
SCHEMBL14964667 0.75 KDM4E (0.31) KDM4ELMNA
SCHEMBL10809685 0.75 KDM4E (0.31) KDM4ELMNA
SCHEMBL14964613 0.75 KDM4E (0.31) KDM4ELMNA
SCHEMBL3407843 0.75
Alcohol SCHEMBL2443956 0.73
SCHEMBL1809325 0.70
SCHEMBL9672111 0.68 MMP2 (0.50) KDM4ELMNAHRH3SMN1; SMN2L3MBTL1
SCHEMBL28627981 0.68 CA2 (0.30)

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-115806471-A Preparation method for preparing substituted propargyl alcohol by catalyzing paraformaldehyde and alkyne with alkali 延安大学 2023-03-17 CN disclosed