SCHEMBL6589260

SCHEMBL6589260

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TACR1 P25103 3/20 0.42
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6716240 0.84 CTSL (0.53) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL6589100 0.84 CTSL (0.53) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL6588838 0.83 TACR1 (0.60) ALDH1A1TACR1CTSLCTSBCTSS
SCHEMBL6587725 0.83 MME (0.54) L3MBTL1
SCHEMBL284864 0.81 TACR1 (0.60) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL328715 0.81 TACR1 (0.60) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL6717261 0.80 CTSS (0.60) ATMCTSLCTSBCTSSCTSK
SCHEMBL28214543 0.77 ATM (0.43) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL6590488 0.77 POLB (0.50) POLB
SCHEMBL16350539 0.76 KDM1A (0.53) TACR1CTSLCTSBCTSSCTSK

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