SCHEMBL8744728

SCHEMBL8744728

CCOC(=O)[C@H](CSC)NC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPID Q08752 1/20 0.39
KMT2A Q03164 2/20 0.38
PSMB5 P28074 1/20 0.38
POLB P06746 1/20 0.38
NLRP3 Q96P20 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9595916 1.00 USP2 (0.39) USP2L3MBTL1PPIDKMT2APSMB5
SCHEMBL9593906 0.88 USP2 (0.50) USP2L3MBTL1PPIDKMT2APOLB
SCHEMBL8744792 0.88 USP2 (0.50) USP2L3MBTL1PPIDKMT2APOLB
SCHEMBL8744746 0.84 MAPK1 (0.40) USP2KMT2APSMB5POLBLMNA
SCHEMBL8744755 0.84 MAPK1 (0.40) USP2KMT2APSMB5POLBLMNA
SCHEMBL8744806 0.83 TAS1R3 (0.50) L3MBTL1PPIDKMT2APOLBLMNA
SCHEMBL9593287 0.83 TAS1R3 (0.50) L3MBTL1PPIDKMT2APOLBLMNA
SCHEMBL8744711 0.82 ELANE (0.48) KMT2A
SCHEMBL9594200 0.82 ELANE (0.48) KMT2A
SCHEMBL9595368 0.81 LMNA (0.41) L3MBTL1PSMB5NLRP3SMN1; SMN2LMNA

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