SCHEMBL27487510

SCHEMBL27487510

CC1(C)CC(OC(=O)c2cccc(C(=O)O)c2)CC(C)(C)N1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.49
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL565530 0.94 GAA (0.59) TSHRGAAHTTKMT2AMAPT
SCHEMBL7873167 0.89 GAA (0.54) TSHRGAAHTTKMT2AMAPT
SCHEMBL25804722 0.89 GAA (0.52) TSHRGAAHTTKMT2AMAPT
SCHEMBL243559 0.87 TSHR (0.70) TSHRGAAHTTKMT2AMAPT
SCHEMBL13126360 0.86 TSHR (0.57) TSHRGAAHTTKMT2AMAPT
SCHEMBL18072216 0.85 GAA (0.57) TSHRGAAHTTKMT2AMAPT
SCHEMBL11336780 0.83 TSHR (0.57) TSHRGAAHTTKMT2AL3MBTL1
SCHEMBL1535633 0.82 GAA (0.61) TSHRGAAHTTKMT2AMAPT
SCHEMBL28742754 0.82 GAA (0.76) TSHRGAAKMT2AL3MBTL1MEN1
SCHEMBL7477447 0.81 TSHR (0.61) TSHRGAAHTTKMT2AL3MBTL1

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
CN-1213030-C Inhibition of polymerization of unsaturated monomers CROMPTON CORP (US) 2005-08-03 CN disclosed
CN-1413194-A Inhibition of polymerization of unsaturated monomers CROMPTON CORP (US) 2003-04-23 CN disclosed