SCHEMBL6992889

SCHEMBL6992889

CCCC(C)(NC(=O)Cc1c(C)cc(OC)cc1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACAT1 P24752 1/20 0.36
SOAT1 P35610 1/20 0.36
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
PLA2G2A P14555 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BACE1 P56817 1/20 0.34
LMNA P02545 2/20 0.34
SHMT1 P34896 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6992106 0.90 KMT2A (0.36) TP53KMT2APOLBCYP3A4HPGD
SCHEMBL7958365 0.84 SMN1; SMN2 (0.37) KMT2AMAPTTSHRSMN1; SMN2L3MBTL1
SCHEMBL6995171 0.84 MEN1 (0.43) KMT2AHPGDSHMT1MEN1HTT
SCHEMBL7960861 0.82 SHMT1 (0.45) TP53KMT2APOLBCYP3A4HPGD
SCHEMBL7950147 0.80 KMT2A (0.39) TP53KMT2APOLBCYP3A4HPGD
SCHEMBL8744736 0.78 LMNA (0.34) KMT2APOLBHPGDMAPTTSHR
SCHEMBL6994975 0.77 LMNA (0.36) TP53KMT2APOLBCYP3A4HPGD
SCHEMBL4421064 0.77 MEN1 (0.42) KMT2AKDM4EPLA2G2AL3MBTL1MEN1
SCHEMBL7960614 0.76 CYP3A4 (0.40) TP53KMT2APOLBCYP3A4HPGD
SCHEMBL4424929 0.74 SMN1; SMN2 (0.41) KMT2APOLBHPGDPLA2G2ASMN1; SMN2

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