SCHEMBL8744811

SCHEMBL8744811

CC(C)C(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 3/20 0.51
SDC2 P34741 3/20 0.51
AKR1B1 P15121 1/20 0.50
SLC22A12 Q96S37 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.46
MBTPS1 Q14703 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8744816 1.00 SDCBP (0.51) SDCBPSDC2AKR1B1SLC22A12KMT2A
SCHEMBL4435139 0.88 MBTPS1 (0.47) SDCBPSDC2SLC22A12KMT2AALDH1A1
SCHEMBL4435142 0.88 MBTPS1 (0.47) SDCBPSDC2SLC22A12KMT2AALDH1A1
SCHEMBL8744735 0.87 PYGL (0.47) AKR1B1SLC22A12KMT2AALDH1A1HPGD
SCHEMBL8744730 0.87 PYGL (0.47) AKR1B1SLC22A12KMT2AALDH1A1HPGD
SCHEMBL8744794 0.84 AKR1B1 (0.53) AKR1B1SLC22A12KMT2AALDH1A1HPGD
SCHEMBL8744800 0.84 AKR1B1 (0.53) AKR1B1SLC22A12KMT2AALDH1A1HPGD
SCHEMBL10308411 0.83 SDCBP (0.44) SDCBPSDC2AKR1B1SLC22A12KMT2A
SCHEMBL12836919 0.83 SDCBP (0.44) SDCBPSDC2AKR1B1SLC22A12KMT2A
SCHEMBL8744727 0.83 KMT2A (0.44) AKR1B1SLC22A12KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed