SCHEMBL7715982

SCHEMBL7715982

COC(=O)NOCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
CTH P32929 1/20 0.43
CBS P35520 1/20 0.43
THPO P40225 1/20 0.43
THRB P10828 1/20 0.42
EGLN1 Q9GZT9 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 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
SCHEMBL307685 0.80 APLNR (0.43) TSHRCTHCBSTHPOGAA
SCHEMBL7713745 0.78 CA4 (0.38) FFAR3
SCHEMBL6203001 0.76
SCHEMBL2990413 0.76
SCHEMBL29773797 0.75 FFAR3 (0.41) TSHRCTHCBSTHPOTHRB
SCHEMBL7769869 0.75 EPHX1 (0.47) SMN1; SMN2EPHX1ALDH1A1PAM
SCHEMBL10556609 0.74 TSHR (0.43) TSHRCTHCBSTHPOTHRB
SCHEMBL12572409 0.74
SCHEMBL24994916 0.73 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL6947522 0.72

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed