SCHEMBL28065832

SCHEMBL28065832

Cc1ccc2c(ccc3cc(C(C)C)ccc32)c1C(=O)O.[Cu]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.42
LDHA P00338 3/20 0.41
LDHB P07195 3/20 0.41
ALB P02768 2/20 0.41
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
AKR1B1 P15121 1/20 0.40
DHODH Q02127 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL27569089 0.86 DHODH (0.43) EIF4A3LDHALDHBALBTRPA1
SCHEMBL19203292 0.77 EIF4A3 (0.45) EIF4A3LDHALDHBALBTRPA1
SCHEMBL8211200 0.77 FABP3 (0.51) EIF4A3LDHALDHBALBFABP3
SCHEMBL3912740 0.77 UGT2B7 (0.45) EIF4A3TRPA1PTGS1CACNA1CAKR1B1
Methyl Alcohol SCHEMBL28136155 0.76 PTGS1 (0.47) EIF4A3TRPA1PTGS1CACNA1CAKR1B1
SCHEMBL28136088 0.76 LMNA (0.47) EIF4A3TRPA1PTGS1CACNA1CAKR1B1
SCHEMBL9622332 0.76 FABP3 (0.41) EIF4A3TRPA1PTGS1CACNA1CFABP3
SCHEMBL10015553 0.75 LDHA (0.47) LDHALDHBALBDHODHPDE10A
SCHEMBL15701886 0.73 LMNA (0.47) EIF4A3TRPA1PTGS1CACNA1CAKR1B1
SCHEMBL931068 0.73 ALDH1A1 (0.52) LDHALDHBALBDHODHLMNA

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
CN-104488963-B Compound composition with methanesulphonyl myclobutanil and organic copper bactericide and preparation 广西田园生化股份有限公司 2017-04-19 CN disclosed
CN-105875608-A Bactericidal composition for crops 重庆市赛欧生态农业有限公司 2016-08-24 CN disclosed