SCHEMBL8744727

SCHEMBL8744727

CCOC(=O)[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.44
SLC22A12 Q96S37 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
AKR1B1 P15121 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NLRP3 Q96P20 1/20 0.40
C1R P00736 1/20 0.40
C1S P09871 1/20 0.40

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
SCHEMBL9594623 1.00 KMT2A (0.44) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL8744750 0.90 ALDH1A1 (0.48) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL9595704 0.90 ALDH1A1 (0.48) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL9594560 0.86 KMT2A (0.47) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL8744777 0.86 KMT2A (0.47) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL8744816 0.83 SDCBP (0.51) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL8744811 0.83 SDCBP (0.51) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL8744783 0.82 PPID (0.46) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL9594765 0.82 PPID (0.46) KMT2AALDH1A1SLC22A12POLBHPGD
SCHEMBL4421840 0.81 ALDH1A1 (0.50) KMT2AALDH1A1POLBHPGDLMNA

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