SCHEMBL11209614

SCHEMBL11209614

O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTRB1 P17538 1/20 0.51
CDC25B P30305 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL11203228 0.82 ALDH1A1 (0.56) ALDH1A1GAAPOLBL3MBTL1CTRB1
SCHEMBL3625848 0.80 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1TDP1LMNA
SCHEMBL1332360 0.80 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1TDP1LMNA
SCHEMBL30447196 0.80 HTT (0.55) ALDH1A1GAAPOLBL3MBTL1TDP1
SCHEMBL20773790 0.79 MAPK1 (0.57) ALDH1A1CTRB1CDC25BMAPK1NPC1
SCHEMBL7215474 0.79 CASP3 (0.50) ALDH1A1GAAPOLBL3MBTL1CTRB1
SCHEMBL11590919 0.79 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1TDP1LMNA
SCHEMBL1184723 0.79 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1TDP1LMNA
SCHEMBL2481122 0.79 ALDH1A1 (0.52) ALDH1A1GAAPOLBL3MBTL1CTRB1
SCHEMBL76879 0.78 ALDH1A1 (0.62) ALDH1A1GAAPOLBL3MBTL1CDC25B

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
US-4347355-A Inhibitors of transpeptidase ABBOTT LABORATORIES (US) 1982-08-31 US disclosed
WO-1982001875-A1 INHIBITORS OF TRANSPEPTIDASE ABBOTT LAB (US) 1982-06-10 WO disclosed