SCHEMBL6939859

SCHEMBL6939859

CC(=O)OC(CC(N)=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PMP22 Q01453 1/20 0.30

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
SCHEMBL6760890 0.79 TSHR (0.40) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL6376109 0.76 L3MBTL1 (0.33)
SCHEMBL14041835 0.76 TSHR (0.37) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL1020469 0.76 TDP1 (0.48) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL10771163 0.76
SCHEMBL8376143 0.75 KDM4E (0.38) ALOX15LMNABLMCYP1A2TDP1
Hydrochloric Acid SCHEMBL4305676 0.74 TDP1 (0.47) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL9754046 0.72 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL25426024 0.71 PGD (0.38)
SCHEMBL28047126 0.71 SMN1; SMN2 (0.40) TSHRALOX15CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311858-A2 AFFINITY SELECTED SIGNATURE PEPTIDES FOR PROTEIN IDENTIFICATION AND QUANTIFICATION PURDUE RESEARCH FOUNDATION (US) 2003-05-21 EP disclosed
WO-2001086306-A2 AFFINITY SELECTED SIGNATURE PEPTIDES FOR PROTEIN IDENTIFICATION AND QUANTIFICATION PURDUE RESEARCH FOUNDATION (US) 2001-11-15 WO disclosed