SCHEMBL27403148

SCHEMBL27403148

CCC(CC)(NC(C)=O)C(=O)O.COc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSD P07339 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL27406967 0.89 MAPT (0.41) ALDH1A1RECQLMTNR1AMTNR1BKMT2A
SCHEMBL27385195 0.85 MAPT (0.41) ALDH1A1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL27406262 0.84 ALDH1A1 (0.39) ALDH1A1RECQLKMT2ASMN1; SMN2POLB
SCHEMBL27385594 0.84 SLC13A5 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9594918 0.82 ALDH1A1 (0.40) ALDH1A1RECQLKMT2AMEN1POLB
SCHEMBL27461092 0.81 ELANE (0.43) ALDH1A1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL27405551 0.80 KDM4E (0.39) ALDH1A1RECQLMTNR1AMTNR1BKMT2A
SCHEMBL27407410 0.78 ALDH1A1 (0.42) ALDH1A1RECQLMTNR1AMTNR1BKMT2A
SCHEMBL27387788 0.75 ELANE (0.46) ALDH1A1MTNR1AMTNR1BKMT2ASMN1; SMN2
Bicarbonate SCHEMBL1976713 0.75 CA1 (0.54) ALDH1A1RECQLKMT2ANOTUMSMN1; SMN2

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