SCHEMBL24440752

SCHEMBL24440752

O=C1/C(=C/c2ccc(COCC3CO3)o2)CCC/C1=C\c1ccc(COCC2CO2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 3/20 0.35
F3 P13726 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 4/20 0.34
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33

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
SCHEMBL9768605 0.78 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL20080451 0.74 TSHR (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12017369 0.74 TSHR (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23509547 0.74 TSHR (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24441173 0.74 ALDH1A1 (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL24440756 0.73
SCHEMBL12017373 0.70 TSHR (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11399302 0.69 CYP1A2 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL11399297 0.69 CYP1A2 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16715946 0.68 SMN1; SMN2 (0.42) MAPTNPC1RAB9AMEN1KMT2A

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-2022104222-A1 AROMATIC DIOL COMPOUNDS, DIEPOXIDE COMPOUNDS, POLYMERS PREPARED FROM SUCH COMPOUNDS, AND METHODS FOR MAKING THE SAME SWIMC LLC (US) 2022-05-19 WO disclosed