SCHEMBL8744711

SCHEMBL8744711

CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
METAP2 P50579 1/20 0.48
MAPT P10636 1/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ACE P12821 2/20 0.43
TACR1 P25103 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SLC10A1 Q14973 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL9594200 1.00 ELANE (0.48) ELANEMETAP2MAPTPPARGPPARA
SCHEMBL8744709 0.89 ACE (0.55) PPARGPPARAACETDP1SLC10A1
SCHEMBL8744713 0.89 ACE (0.55) PPARGPPARAACETDP1SLC10A1
SCHEMBL9594563 0.86 TACR1 (0.57) TACR1TP53MEN1KMT2A
SCHEMBL8744805 0.86 TACR1 (0.57) TACR1TP53MEN1KMT2A
SCHEMBL8744728 0.82 USP2 (0.39) KMT2A
SCHEMBL9595916 0.82 USP2 (0.39) KMT2A
SCHEMBL2238427 0.76 METAP2 (0.53) ELANEMETAP2PPARGPPARAACE
SCHEMBL8458627 0.75 METAP2 (0.50) ELANEMETAP2PPARGPPARAACE
SCHEMBL8458621 0.75 METAP2 (0.50) ELANEMETAP2PPARGPPARAACE

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