SCHEMBL6995409

SCHEMBL6995409

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 2/20 0.49
PTGS2 P35354 2/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7961893 1.00 MEN1 (0.50) MEN1KMT2AHTTRECQLPTGS2
SCHEMBL6994008 0.89 SMN1; SMN2 (0.50) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL6994002 0.89 SMN1; SMN2 (0.50) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL6988661 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL7958352 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL7964610 0.85 TAS1R3 (0.54) MEN1KMT2A
SCHEMBL6994293 0.85 TAS1R3 (0.54) MEN1KMT2A
SCHEMBL4432499 0.85 PTGS2 (0.50) MEN1KMT2AHTTRECQLPTGS2
SCHEMBL6481400 0.85 PTGS2 (0.50) MEN1KMT2AHTTRECQLPTGS2
SCHEMBL8654991 0.85 MEN1 (0.55) MEN1KMT2AHTTRECQLPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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