SCHEMBL9750618

SCHEMBL9750618

CCC(=CC(=O)OC)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9750616 1.00 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ATDP1KEAP1
SCHEMBL13059165 0.84 NPSR1 (0.44) L3MBTL1HCAR2HPGDALDH1A1KDM4E
SCHEMBL844447 0.84 NPSR1 (0.44) L3MBTL1HCAR2HPGDALDH1A1KDM4E
SCHEMBL3763246 0.84 NPSR1 (0.44) L3MBTL1HCAR2HPGDALDH1A1KDM4E
SCHEMBL3751347 0.79 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL844537 0.79 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1HPGD
SCHEMBL9673560 0.76 MGAM (0.37) KMT2AKEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL9673555 0.76 MGAM (0.37) KMT2AKEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL7877240 0.75 ALDH1A1 (0.44) MEN1KMT2AKEAP1NFE2L2HCAR2
SCHEMBL5996600 0.75 ALDH1A1 (0.44) MEN1KMT2AKEAP1NFE2L2HCAR2

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-5003068-A Pyridazinone manufacture MONSANTO COMPANY (US) 1991-03-26 US claimed