SCHEMBL6052833

SCHEMBL6052833

CC1(C)CCC(Cc2ccc(Cl)cc2)(C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5342247 0.85 TACR1 (0.44) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL5347064 0.82 POLB (0.48) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8830686 0.81 MEN1 (0.36) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL29224590 0.79 SLC6A2 (0.37) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL15824058 0.78 POLB (0.44) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL14592623 0.76 ESR1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL27936295 0.75 MEN1 (0.38) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL6052983 0.74 POLB (0.40) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL6648513 0.73 ESR2 (0.38) ALDH1A1MEN1KMT2ALMNAPOLB
Formic Acid SCHEMBL31198175 0.73 ESR1 (0.35) ALDH1A1MEN1KMT2ADRD2DRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429273-A Synthesis method of metconazole intermediate 江苏省农用激素工程技术研究中心有限公司 2021-09-24 CN disclosed
EP-1308432-B1 PROCESS FOR THE PREPARATION OF 5- (4-CHLOROPHENYL)-METHYL|-2,2-DIMETHYLCYCLOPENTANONE KUREHA CORP (JP) 2006-10-18 EP disclosed
EP-1308432-B1 PROCESS FOR THE PREPARATION OF 5- (4-CHLOROPHENYL)-METHYL|-2,2-DIMETHYLCYCLOPENTANONE KUREHA CORP (JP) 2006-10-18 EP disclosed
EP-1308432-A4 PROCESS FOR THE PREPARATION OF 5- (4-CHLOROPHENYL)-METHYL]-2,2-DIMETHYLCYCLOPENTANONE KUREHA CHEMICAL IND CO LTD (JP) 2004-05-12 EP disclosed
WO-2001012580-A1 PROCESS FOR THE PREPARATION OF 5-[(4-CHLOROPHENYL)-METHYL]-2,2-DIMETHYLCYCLOPENTANONE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-02-22 WO disclosed