SCHEMBL9024232

SCHEMBL9024232

COC(=O)COc1[c]cc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 6/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL9025106 0.84 ALDH1A1 (0.46) SMN1; SMN2HPGDRAB9AMAPTMEN1
SCHEMBL9023430 0.78 HPGD (0.40) HPGDMAPTMEN1KMT2AL3MBTL1
SCHEMBL9024624 0.78 PTGS2 (0.50) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL8284596 0.76 RAB9A (0.60) SMN1; SMN2HPGDRAB9AMAPTGAA
SCHEMBL9024894 0.75 PPARG (0.43) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL162301 0.73 ALDH1A1 (0.37) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL14624903 0.72 BCHE (0.55) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL21268196 0.71 SMN1; SMN2 (0.41) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL2565533 0.71 KMT2A (0.40) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL7511668 0.70 CYP2C19 (0.40) MAPTMEN1KMT2AL3MBTL1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP disclosed