SCHEMBL6987357

SCHEMBL6987357

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ANO1 Q5XXA6 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTT P42858 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 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
SCHEMBL6998326 0.91 TAS1R3 (0.47) MEN1KMT2AANO1TAS1R3TAS1R1
SCHEMBL4424507 0.89 MEN1 (0.41) MEN1KMT2AANO1TAS1R3TAS1R1
SCHEMBL6994975 0.84 LMNA (0.36) KMT2ATAS1R3TAS1R1HPGD
SCHEMBL8558179 0.83 P2RX7 (0.41) ANO1ALDH1A1HTT
SCHEMBL7958008 0.81 SHMT1 (0.50) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL7950132 0.81 GPR88 (0.39) TAS1R3TAS1R1HTTAKR1C3AKR1C2
SCHEMBL4425768 0.80 TAS1R3 (0.46) MEN1KMT2AANO1TAS1R3TAS1R1
SCHEMBL4434739 0.80 LPAR1 (0.44) MEN1KMT2AANO1ALDH1A1
Bicarbonate SCHEMBL9095784 0.80 KMT2A (0.52) MEN1KMT2AHPGD
SCHEMBL7960768 0.79 MEN1 (0.46) 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