SCHEMBL8409654

SCHEMBL8409654

COC(=O)CCC(=O)c1ccc(=O)[nH]c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.40
MMP1 P03956 1/20 0.40
ESRRB O95718 1/20 0.39

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
SCHEMBL8412933 0.84 KMT2A (0.42) POLBLMNAKMT2AALDH1A1MAPT
SCHEMBL16891423 0.80 HSD17B3 (0.53) POLBLMNAKMT2AALDH1A1MEN1
SCHEMBL8619424 0.80 NR4A2 (0.52) LMNAKMT2AALDH1A1HSD17B10RAB9A
SCHEMBL8535748 0.74 KMT2A (0.63) POLBLMNAKMT2AALDH1A1MAPT
SCHEMBL2305014 0.74 HSD17B3 (0.60) POLBLMNAKMT2AALDH1A1MAPT
SCHEMBL8409414 0.74 L3MBTL1 (0.40) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL10638823 0.73 KMT2A (0.48) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL640759 0.73 LMNA (0.60) POLBLMNAKMT2AALDH1A1MAPT
SCHEMBL1108994 0.73 MMP1 (0.70) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL9263357 0.73 KMT2A (0.60) POLBLMNAKMT2AALDH1A1MAPT

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
US-5994540-A HYDROXY- AND CHLORO-PYRIDYLPYRIDAZINONE DERIVATIVES LONZA, LTD. (CH) 1999-11-30 US disclosed