SCHEMBL6997846

SCHEMBL6997846

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ANO1 Q5XXA6 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
WNT3A P56704 1/20 0.37
EPHX2 P34913 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL6995171 0.90 MEN1 (0.43) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL4428397 0.88 MEN1 (0.42) MEN1KMT2AANO1ALDH1A1
SCHEMBL8862726 0.88 P2RX7 (0.39) MEN1KMT2AALDH1A1HPGD
SCHEMBL8558450 0.85 ANO1 (0.42) ANO1ALDH1A1
SCHEMBL6992106 0.84 KMT2A (0.36) MEN1KMT2AHPGD
SCHEMBL7960894 0.83 MEN1 (0.44) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL7964621 0.81 MEN1 (0.43) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL8862719 0.81 P2RX7 (0.37) MEN1KMT2AALDH1A1HPGD
SCHEMBL8862619 0.79 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1HPGD
SCHEMBL6998326 0.79 TAS1R3 (0.47) MEN1KMT2AANO1ALDH1A1HPGD

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