SCHEMBL6590491

SCHEMBL6590491

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.47
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
BIRC2 Q13490 1/20 0.41
POLB P06746 1/20 0.41
CPA3 P15088 1/20 0.41
GNPAT O15228 1/20 0.41
MME P08473 2/20 0.40
FOLH1 Q04609 1/20 0.40
ECE1 P42892 1/20 0.40

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
SCHEMBL6590486 0.84 ACE (0.44) NAALAD2POLB
SCHEMBL328715 0.79 TACR1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL284864 0.79 TACR1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6589100 0.76 CTSL (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6716240 0.76 CTSL (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6588838 0.75 TACR1 (0.60) ALDH1A1
SCHEMBL28214543 0.74 ATM (0.43) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6590488 0.74 POLB (0.50) POLB
SCHEMBL6589260 0.72 CASP1 (0.43) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6717261 0.72 CTSS (0.60) POLB

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