SCHEMBL6994975

SCHEMBL6994975

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
PLA2G2A P14555 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
PTGS2 P35354 2/20 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
SCHEMBL6992821 0.90 TAS1R3 (0.45) LMNARXFP1TAS1R3TAS1R1L3MBTL1
Bicarbonate SCHEMBL9119619 0.89 EPHX2 (0.42) LMNARXFP1L3MBTL1SMN1; SMN2POLB
SCHEMBL6987357 0.84 MEN1 (0.42) TAS1R3TAS1R1KMT2AHPGD
SCHEMBL6997712 0.84 LPAR1 (0.40) LMNARXFP1TAS1R3TAS1R1L3MBTL1
SCHEMBL7960861 0.80 SHMT1 (0.45) LMNAL3MBTL1SMN1; SMN2TP53PLA2G2A
SCHEMBL8744778 0.80 TAS1R3 (0.46) LMNARXFP1TAS1R3TAS1R1L3MBTL1
SCHEMBL4424507 0.78 MEN1 (0.41) TAS1R3TAS1R1L3MBTL1PLA2G2AKMT2A
SCHEMBL7950147 0.78 KMT2A (0.39) LMNAL3MBTL1SMN1; SMN2TP53PLA2G2A
SCHEMBL6992889 0.77 TP53 (0.36) LMNAL3MBTL1SMN1; SMN2TP53PLA2G2A
SCHEMBL4435090 0.76 LPAR1 (0.41) LMNAL3MBTL1SMN1; SMN2PLA2G2APOLB

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 3 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