SCHEMBL6589100

SCHEMBL6589100

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TACR1 P25103 1/20 0.48
CNR2 P34972 3/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C9 P11712 2/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 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 1.00 CTSL (0.53) CTSLCTSBCTSSPSMB8PSMB5
SCHEMBL328715 0.86 TACR1 (0.60) CTSSTACR1ALDH1A1ATMCYP2C9
SCHEMBL284864 0.86 TACR1 (0.60) CTSSTACR1ALDH1A1ATMCYP2C9
SCHEMBL6589260 0.84 CASP1 (0.43) CTSLCTSBCTSSTACR1ALDH1A1
SCHEMBL6590488 0.83 POLB (0.50)
SCHEMBL4156601 0.82 ATM (0.65) CTSLCTSBCTSSALDH1A1MEN1
SCHEMBL4156603 0.82 ATM (0.65) CTSLCTSBCTSSALDH1A1MEN1
SCHEMBL6588838 0.82 TACR1 (0.60) CTSLCTSBCTSSTACR1ALDH1A1
SCHEMBL6590486 0.81 ACE (0.44) TACR1
SCHEMBL13819263 0.81 ACE (0.63) CTSLCTSBCTSSPSMB8PSMB5

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