SCHEMBL8921549

SCHEMBL8921549

CCC(=O)OC.COC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DGAT1 O75907 1/20 0.38
TET2 Q6N021 1/20 0.37
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
PRKCA P17252 1/20 0.31
ELANE P08246 1/20 0.31
NAAA Q02083 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
Tert-Butanol SCHEMBL28036841 0.82 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL27583315 0.82 TSHR (0.59) TSHRMGAMGAASIMGAM2
SCHEMBL15434 0.82
SCHEMBL3288569 0.82
SCHEMBL4328011 0.82
SCHEMBL15139 0.82
Chloromethane SCHEMBL11868053 0.79 TSHR (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL4652748 0.79
Methyl Alcohol SCHEMBL818529 0.79
Ammonia Solution, Strong SCHEMBL116114 0.79

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
US-5645695-A RECYCLING AZEOTROPIC AGENTS BERG LLOYD (US) 1997-07-08 US disclosed