SCHEMBL1720673

SCHEMBL1720673

C=Cc1ccc(C(=O)CC(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.40
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
CES1 P23141 5/20 0.36
KDM4E B2RXH2 1/20 0.33
HPGDS O60760 1/20 0.33
GCGR P47871 2/20 0.32
IDO1 P14902 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL13455147 0.81 HPGDS (0.33) HPGDSGCGRALDH1A1
SCHEMBL5873129 0.78 PLOD2 (0.42) PLOD2PLOD3PLOD1CES1KDM4E
SCHEMBL31238795 0.74 PTPN1 (0.57) PLOD2PLOD3PLOD1KDM4EHDAC8
SCHEMBL710254 0.74 PTPN1 (0.57) PLOD2PLOD3PLOD1KDM4EHDAC8
SCHEMBL1506782 0.73 NR4A1 (0.47) KDM4EALDH1A1
SCHEMBL31518427 0.73 NR4A1 (0.47) KDM4EALDH1A1
SCHEMBL10456257 0.73 PTPN1 (0.56) PLOD2PLOD3PLOD1KDM4EHDAC8
SCHEMBL28103343 0.73 PTPN1 (0.56) PLOD2PLOD3PLOD1KDM4EHDAC8
SCHEMBL14497162 0.72 PLOD2 (0.42) PLOD2PLOD3PLOD1CES1KDM4E
SCHEMBL30717654 0.71 BRD4 (0.46) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733211-B1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2012-01-11 EP disclosed
EP-1733211-B1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2012-01-11 EP disclosed
US-7799568-B2 Authentication of products using molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-21 US disclosed
US-7678870-B2 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-16 US disclosed
US-20080056940-A1 Authentication Of Products Using Molecularly Imprinted Polymers JOHNS HOPKINS UNIVERISTY 2008-03-06 US disclosed
US-20080056940-A1 Authentication Of Products Using Molecularly Imprinted Polymers JOHNS HOPKINS UNIVERISTY 2008-03-06 US disclosed
US-20070197746-A1 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY 2007-08-23 US disclosed
US-20070197746-A1 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY 2007-08-23 US disclosed
EP-1733211-A4 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2007-05-30 EP disclosed
EP-1733211-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 EP disclosed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 WO disclosed
WO-2005038734-A2 AUTHENTICATION OF PRODUCTS USING MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-04-28 WO disclosed