SCHEMBL6590488

SCHEMBL6590488

C=COC(=O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC=C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HDAC1 Q13547 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
ACE P12821 1/20 0.46
FAAH O00519 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL6716240 0.83 CTSL (0.53)
SCHEMBL6589100 0.83 CTSL (0.53)
SCHEMBL6590486 0.81 ACE (0.44) POLBHDAC1HDAC6ACEFAAH
SCHEMBL328715 0.80 TACR1 (0.60) POLB
SCHEMBL284864 0.80 TACR1 (0.60) POLB
SCHEMBL9492370 0.77 FAAH (0.55) POLBHDAC1HDAC6ACEFAAH
SCHEMBL9492365 0.77 FAAH (0.55) POLBHDAC1HDAC6ACEFAAH
SCHEMBL6588838 0.77 TACR1 (0.60)
SCHEMBL6589260 0.77 CASP1 (0.43) POLB
SCHEMBL9493900 0.76 FAAH (0.59) HDAC1HDAC6FAAH

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