SCHEMBL6990078

SCHEMBL6990078

COC(=O)[C@H](C)NC(=O)Cc1c(C)cc(OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
RECQL P46063 2/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL7958125 1.00 PTGS2 (0.48) PTGS2RECQLLMNAMEN1KMT2A
SCHEMBL7964617 0.85 TAS1R3 (0.48) LMNAHTTCYP3A4HPGDALDH1A1
SCHEMBL6990364 0.85 TAS1R3 (0.48) LMNAHTTCYP3A4HPGDALDH1A1
SCHEMBL6993810 0.84 TAS1R3 (0.56) CYP3A4HPGD
SCHEMBL7950083 0.84 TAS1R3 (0.56) CYP3A4HPGD
SCHEMBL6990018 0.83 MEN1 (0.43) PTGS2RECQLLMNAMEN1KMT2A
SCHEMBL7961970 0.83 MEN1 (0.43) PTGS2RECQLLMNAMEN1KMT2A
SCHEMBL7964632 0.82 ALDH1A1 (0.50) LMNAKMT2AHTTCYP3A4HPGD
SCHEMBL6994676 0.82 ALDH1A1 (0.50) LMNAKMT2AHTTCYP3A4HPGD
SCHEMBL6995409 0.81 MEN1 (0.50) PTGS2RECQLMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed