SCHEMBL3408457

SCHEMBL3408457

NC(=O)OC1CCCCC1CO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PABPC1 P11940 1/20 0.32
ALOX5 P09917 2/20 0.31
LMNA P02545 1/20 0.31
SERPINE1 P05121 2/20 0.31
METAP2 P50579 1/20 0.31
GSR P00390 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL31181438 0.98 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL12987845 0.87 ATM (0.31)
SCHEMBL25320473 0.87 ATM (0.31)
SCHEMBL12987844 0.87 ATM (0.31)
SCHEMBL5139838 0.86 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL9800024 0.82 SERPINE1 (0.41) ALOX5SERPINE1METAP2GSREPHX1
SCHEMBL10867518 0.82 SERPINE1 (0.41) ALOX5SERPINE1METAP2GSREPHX1
SCHEMBL21019803 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL23587563 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL2316033 0.79 CHRM2 (0.41) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G

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
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed