SCHEMBL6997712

SCHEMBL6997712

CCC(C)C(C)(NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
GPR183 P32249 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6990974 0.91 TAS1R3 (0.43) LPAR1LMNASMN1; SMN2L3MBTL1HTT
Bicarbonate SCHEMBL9117401 0.90 NPC1 (0.41) LMNASMN1; SMN2L3MBTL1ALDH1A1TAS1R3
SCHEMBL6994975 0.84 LMNA (0.36) LMNASMN1; SMN2L3MBTL1RXFP1TAS1R3
SCHEMBL8744778 0.82 TAS1R3 (0.46) LPAR1LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL7960037 0.81 SMN1; SMN2 (0.40) LPAR1LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL7959947 0.79 SMN1; SMN2 (0.36) LPAR1LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL7958365 0.79 SMN1; SMN2 (0.37) LPAR1LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL4435090 0.78 LPAR1 (0.41) LPAR1LMNASMN1; SMN2L3MBTL1ALDH1A1
Bicarbonate SCHEMBL9119619 0.77 EPHX2 (0.42) LMNASMN1; SMN2L3MBTL1RXFP1MEN1
SCHEMBL27387187 0.77 TAS1R3 (0.43) LPAR1SMN1; SMN2L3MBTL1ALDH1A1TAS1R3

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
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed