SCHEMBL6998326

SCHEMBL6998326

CCC(C)C(C)(NC(=O)Cc1ccc(OC)cc1C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ANO1 Q5XXA6 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
WNT3A P56704 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6987357 0.91 MEN1 (0.42) TAS1R3TAS1R1MEN1KMT2AANO1
SCHEMBL4425768 0.89 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2AANO1
SCHEMBL8862522 0.88 TAS1R3 (0.49) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL8556633 0.86 TAS1R3 (0.47) TAS1R3TAS1R1ANO1ALDH1A1
SCHEMBL6992821 0.84 TAS1R3 (0.45) TAS1R3TAS1R1KMT2AANO1HPGD
SCHEMBL7960894 0.81 MEN1 (0.44) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL7949760 0.81 TAS1R3 (0.44) TAS1R3TAS1R1KMT2AALDH1A1HPGD
SCHEMBL8862570 0.80 TAS1R3 (0.41) TAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL4428398 0.80 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2AANO1
SCHEMBL4424507 0.80 MEN1 (0.41) TAS1R3TAS1R1MEN1KMT2AANO1

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 4 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
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