SCHEMBL10696055

SCHEMBL10696055

N/C=C(\CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CPB1 P15086 1/20 0.45
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ABAT P80404 1/20 0.36
GRIK1 P39086 4/20 0.33
GRIK2 Q13002 3/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 3/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9179834 1.00 TSHR (0.56) TSHRKDM4ECPB1LDHASRR
SCHEMBL12101265 0.75 EGLN1 (0.40) TSHRKDM4ECPB1LDHASRR
SCHEMBL33410 0.74 TSHR (0.59) TSHRKDM4ECPB1LDHASRR
SCHEMBL28123688 0.74 TSHR (0.59) TSHRKDM4ECPB1LDHASRR
SCHEMBL9567017 0.74 TSHR (0.59) TSHRKDM4ECPB1LDHASRR
SCHEMBL707103 0.74 TSHR (0.59) TSHRKDM4ECPB1LDHASRR
SCHEMBL6365923 0.74 TSHR (0.59) TSHRKDM4ECPB1LDHASRR
SCHEMBL4115859 0.74 TSHR (0.65) TSHRKDM4ECPB1LDHASRR
SCHEMBL1234795 0.74 TSHR (0.65) TSHRKDM4ECPB1LDHASRR
SCHEMBL19032421 0.72 TSHR (0.56) TSHRKDM4ECPB1LDHASRR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283127-A1 Surgical staple MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-09-21 EP disclosed