SCHEMBL8552873

SCHEMBL8552873

CCCC(C)(NC(=O)Cc1ccc(C)cc1Cl)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ANO1 Q5XXA6 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
SCHEMBL4428397 0.88 MEN1 (0.42) ALDH1A1HTTKDM4EKMT2ARECQL
SCHEMBL8557476 0.88 KMT2A (0.37) ALDH1A1HTTKDM4EKMT2ARAB9A
SCHEMBL8862726 0.88 P2RX7 (0.39) ALDH1A1HTTKDM4EKMT2ARAB9A
SCHEMBL8651352 0.83 ALDH1A1 (0.42) ALDH1A1HTTKDM4EKMT2ARAB9A
SCHEMBL8558450 0.83 ANO1 (0.42) ALDH1A1HTTKDM4EL3MBTL1LMNA
SCHEMBL8654749 0.81 ALDH1A1 (0.38) ALDH1A1HTTKDM4EKMT2ARAB9A
SCHEMBL4435109 0.81 KMT2A (0.43) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL8862719 0.81 P2RX7 (0.37) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL8862619 0.79 SMN1; SMN2 (0.42) ALDH1A1KMT2ARAB9ANPC1HPGD
SCHEMBL4421064 0.79 MEN1 (0.42) ALDH1A1HTTKDM4EKMT2ARECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0668267-B1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1998-04-08 EP disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0668267-A1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1995-08-23 EP disclosed