SCHEMBL7959906

SCHEMBL7959906

CCC(CC)(NC(=O)Cc1c(C)cc(OC)cc1C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G2A P14555 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL7950147 0.89 KMT2A (0.39) KMT2APOLBCYP3A4HPGDSMN1; SMN2
SCHEMBL9593911 0.88 HPGD (0.36) KMT2AHPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL7960614 0.82 CYP3A4 (0.40) KMT2APOLBCYP3A4HPGDSMN1; SMN2
SCHEMBL7964621 0.82 MEN1 (0.43) KMT2AHPGDALDH1A1MEN1HTT
SCHEMBL7957892 0.82 LMNA (0.36) KMT2ASMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL6992106 0.80 KMT2A (0.36) KMT2APOLBCYP3A4HPGDSMN1; SMN2
SCHEMBL6992821 0.78 TAS1R3 (0.45) KMT2APOLBCYP3A4HPGDSMN1; SMN2
SCHEMBL7960861 0.77 SHMT1 (0.45) KMT2APOLBCYP3A4HPGDSMN1; SMN2
SCHEMBL6483829 0.75 MEN1 (0.44) KMT2ASMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL6992889 0.74 TP53 (0.36) KMT2APOLBCYP3A4HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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