SCHEMBL8555850

SCHEMBL8555850

COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(Cl)cc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
TAS1R3 Q7RTX0 12/20 0.49
TAS1R1 Q7RTX1 12/20 0.49
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL8654231 1.00 NOS3 (0.52) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL8557036 0.87 MAPK1 (0.55) LMNAKMT2ACA1CA2
SCHEMBL8557039 0.87 MAPK1 (0.55) LMNAKMT2ACA1CA2
SCHEMBL6482764 0.86 TAS1R3 (0.51) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL4421858 0.86 TAS1R3 (0.51) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL7964610 0.86 TAS1R3 (0.54) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6994293 0.86 TAS1R3 (0.54) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL8654991 0.86 MEN1 (0.55) MEN1LMNAKMT2A
SCHEMBL8555896 0.86 MEN1 (0.55) MEN1LMNAKMT2A
SCHEMBL8657482 0.84 ALDH1A1 (0.57) TAS1R3TAS1R1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080719-C Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative BAYER GMBH (DE) 2002-03-13 CN disclosed
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
CN-1110680-A Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative BYLL GMBH (DE) 1995-10-25 CN disclosed
EP-0668267-A1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1995-08-23 EP disclosed