SCHEMBL9837121

SCHEMBL9837121

C=C(C)C(OC(=O)Nc1cc(OC(C)C)c(Cl)cc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 3/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.35
KMO O15229 1/20 0.34
POLB P06746 1/20 0.34
BRPF1 P55201 1/20 0.33
DHODH Q02127 2/20 0.33

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
SCHEMBL9836744 0.85 GAA (0.44) GAAMAPK1RORCMEN1KMT2A
SCHEMBL27309659 0.85 RORC (0.41) GAAMAPK1RORCMEN1KMT2A
SCHEMBL9835444 0.80 RORC (0.39) GAAMAPK1RORCMEN1KMT2A
SCHEMBL9837587 0.78 LMNA (0.47) GAAMEN1KMT2ALMNAMAPT
SCHEMBL27314992 0.78 DHODH (0.37) GAAMAPK1RORCMEN1KMT2A
SCHEMBL10458908 0.78 RORC (0.61) GAAMAPK1RORCMEN1KMT2A
SCHEMBL9835865 0.78 USP2 (0.48) GAAMAPK1MEN1KMT2ALMNA
SCHEMBL9836348 0.76 RORC (0.37) GAAMAPK1RORCMEN1KMT2A
SCHEMBL27344658 0.76 SMN1; SMN2 (0.41) GAAMAPK1RORCMEN1KMT2A
SCHEMBL27310660 0.76 GAA (0.44) GAAMAPK1RORCMEN1KMT2A

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
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed