SCHEMBL5237686

SCHEMBL5237686

CC(=O)Oc1ccc(C)c(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
NCEH1 Q6PIU2 2/20 0.42
CFD P00746 2/20 0.42
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GFER P55789 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL28427140 0.83 NCEH1 (0.50) ACHENCEH1CFDPTPN1KDM4E
SCHEMBL286701 0.77 PTPN1 (0.46) ACHENCEH1CFDPTPN1KDM4E
SCHEMBL12940532 0.75 NCEH1 (0.46) ACHENCEH1CFDPTPN1KDM4E
SCHEMBL31466896 0.75 MAPT (0.38) ACHENCEH1KDM4EGAAALDH1A1
SCHEMBL15788600 0.75 ACHE (0.41) ACHENCEH1CFDPTPN1KDM4E
SCHEMBL15842131 0.74 PTPN1 (0.53) ACHEPTPN1KDM4ETSHRGAA
SCHEMBL6351831 0.74 PTPN1 (0.53) ACHENCEH1CFDPTPN1KDM4E
SCHEMBL27966057 0.74 KDM4E (0.42) ACHECFDPTPN1KDM4ETSHR
SCHEMBL31612516 0.73 KDM4E (0.50) CFDKDM4ETSHRGAAALDH1A1
SCHEMBL8860109 0.73 KDM4E (0.50) CFDKDM4ETSHRGAAALDH1A1

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-1723141-A4 INDUSTRIAL PROCESS FOR PREPARATION OF CLOPIDOGREL HYDROGEN SULPHATE IPCA LAB LTD (IN) 2007-10-10 EP disclosed
EP-1772455-A2 Industrial process for preparation a polmorph of clopidogrel hydrogen sulphate IPCA Laboratories Limited (IN) 2007-04-11 EP disclosed
EP-1723141-A2 INDUSTRIAL PROCESS FOR PREPARATION OF CLOPIDOGREL HYDROGEN SULPHATE IPCA Laboratories Limited (IN) 2006-11-22 EP disclosed
WO-2005104663-A2 INDUSTRIAL PROCESS FOR PREPARATION OF CLOPIDOGREL HYDROGEN SULPHATE IPCA LABORATORIES LIMITED (IN) 2005-11-10 WO disclosed