SCHEMBL27420114

SCHEMBL27420114

CCCC(C)(NC(C)=O)C(=O)OC.COc1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.37
ATM Q13315 2/20 0.36
PKM P14618 2/20 0.36
SSTR4 P31391 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27402161 0.90 NAALAD2 (0.39) ALDH1A1RECQLMAPTATMSSTR4
SCHEMBL27404833 0.86 ALDH1A1 (0.41) ALDH1A1RECQLMAPTATMSSTR4
SCHEMBL27386688 0.80 ELANE (0.43) ALDH1A1RECQLMAPTPKMSSTR4
SCHEMBL27532804 0.80 MAPT (0.39) ALDH1A1RECQLMAPTATMPKM
SCHEMBL27385599 0.79 L3MBTL1 (0.42) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL27388228 0.79 CNR2 (0.38) ALDH1A1RECQLMAPTMEN1KMT2A
SCHEMBL27404831 0.77 TAS1R3 (0.45) ALDH1A1RECQLMAPTSSTR4L3MBTL1
SCHEMBL27388243 0.77 ALDH1A1 (0.42) ALDH1A1RECQLMAPTSSTR4L3MBTL1
SCHEMBL27403682 0.76 KMT2A (0.45) ALDH1A1MAPTATMPKML3MBTL1
SCHEMBL9595680 0.76 NAALAD2 (0.40) ALDH1A1RECQLATMMEN1KMT2A

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
CN-1075060-C Alkoxy-alkyl-substd. 1-H-3-aryl-pyrrolidine-2,4-diones used as herbicides and pesticides BAYER AG (DE) 2001-11-21 CN disclosed
CN-1147249-A Alkoxy-alkyl-substituted 1-H-3-aryl-pyrrolidine-2, 4-diones as herbicides and pesticides BAYER AG (DE) 1997-04-09 CN disclosed