SCHEMBL25840223

SCHEMBL25840223

CC(C)C(=O)COc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 1/20 0.44
MAPK14 Q16539 1/20 0.44
FFAR1 O14842 2/20 0.43
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL837058 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL2949180 0.80 PKM (0.70) SMN1; SMN2PKMPOLBL3MBTL1FFAR1
SCHEMBL2945856 0.79 ALDH1A1 (0.58) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL3949993 0.78 PKM (0.50) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL13197618 0.76 MEN1 (0.44) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL13197626 0.76 MEN1 (0.44) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL13239750 0.76 LMNA (0.58) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL29536561 0.76 LMNA (0.58) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL7114498 0.76 SMN1; SMN2 (0.46) SMN1; SMN2PKMMEN1HPGDKMT2A
SCHEMBL12370953 0.76 KMT2A (0.51) SMN1; SMN2PKMMEN1KMT2AALDH1A1

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
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed