SCHEMBL6590486

SCHEMBL6590486

C=COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(C=C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.44
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
TACR1 P25103 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.41
POLB P06746 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL6590491 0.84 NAALAD2 (0.47) NAALAD2POLB
SCHEMBL6589100 0.81 CTSL (0.53) TACR1
SCHEMBL6716240 0.81 CTSL (0.53) TACR1
SCHEMBL6590488 0.81 POLB (0.50) ACEHDAC1HDAC6POLBFAAH
SCHEMBL284864 0.79 TACR1 (0.60) TACR1POLB
SCHEMBL328715 0.79 TACR1 (0.60) TACR1POLB
SCHEMBL6588838 0.75 TACR1 (0.60) TACR1
SCHEMBL28214543 0.74 ATM (0.43) TACR1POLB
SCHEMBL6717261 0.72 CTSS (0.60) ACEPOLB
SCHEMBL6589260 0.72 CASP1 (0.43) TACR1POLB

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
US-20040208883-A1 Method for preparing ester linked peptide-carbohydrate conjugates ISIS INNOVATION LIMITED (GB) 2004-10-21 US disclosed
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 EP disclosed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 WO disclosed