SCHEMBL5202027

SCHEMBL5202027

CC(NCC(=O)O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ABAT P80404 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.40
TEAD4 Q15561 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL4124188 0.77 ALDH1A1 (0.50) TDP1ABATGAAALDH1A1HSD17B10
SCHEMBL2705958 0.77 ALDH1A1 (0.50) TDP1ABATGAAALDH1A1HSD17B10
SCHEMBL5861572 0.77 ALDH1A1 (0.50) TDP1ABATGAAALDH1A1HSD17B10
SCHEMBL24700263 0.76 TDP1 (0.54) TDP1GAAALDH1A1HSD17B10LMNA
SCHEMBL6047683 0.75 MME (0.51) TDP1ABATGAAALDH1A1HSD17B10
SCHEMBL990038 0.75 TDP1 (0.70) TDP1GAAALDH1A1HSD17B10LMNA
SCHEMBL9080692 0.74 TDP1 (0.42) TDP1ABATALDH1A1HSD17B10LMNA
SCHEMBL9080695 0.74 TDP1 (0.42) TDP1ABATALDH1A1HSD17B10LMNA
SCHEMBL524374 0.73 APAF1 (0.62) ALDH1A1HSD17B10LMNACYP3A4ALOX15
SCHEMBL653596 0.73 APAF1 (0.62) ALDH1A1HSD17B10LMNACYP3A4ALOX15

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
EP-1805197-A1 HEMATOLOGICAL CANCER PROFILING SYSTEM Med Biogene Inc (CA) 2007-07-11 EP disclosed
WO-2006034573-A1 HEMATOLOGICAL CANCER PROFILING SYSTEM MED BIOGENE INC. (CA) 2006-04-06 WO disclosed