SCHEMBL17458667

SCHEMBL17458667

O=C(Cc1ccccc1)NC(CCO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.57
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CNR1 P21554 1/20 0.49

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
SCHEMBL7096702 1.00 CNR2 (0.57) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL27832703 0.86 CNR2 (0.59) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL6137656 0.86 CNR2 (0.59) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL6137652 0.86 CNR2 (0.59) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL6567538 0.85 NAALAD2 (0.66) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL16115188 0.85 POLB (0.69) CNR2POLBKMT2AMEN1CTSL
SCHEMBL2323966 0.85 CNR2 (0.55) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL27694707 0.85 NAALAD2 (0.66) CNR2POLBKMT2AMEN1HDAC8
SCHEMBL16114852 0.85 POLB (0.69) CNR2POLBKMT2AMEN1CTSL
SCHEMBL6567542 0.85 NAALAD2 (0.66) CNR2POLBKMT2AMEN1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104531577-B Arthrobacter nicotinovorans WYG001 and application thereof in preparation of N-BOC-L-homoserine lactone 浙江工业大学 2017-05-17 CN disclosed
US-20170042823-A1 CO-ENCAPSULATION OF ANTIMICROBIALS AND ADJUVANTS IN NANOCARRIERS UNIV PRINCETON (US) 2017-02-16 US disclosed
WO-2016013844-A1 PRODUCTION METHOD OF PHENYLACETYL HOMOSERINE LACTONE DERIVATIVE 한국생명공학연구원 2016-01-28 WO disclosed