SCHEMBL11259359

SCHEMBL11259359

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 2/20 0.32

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
SCHEMBL18613467 0.83 TSHR (0.32) TSHR
SCHEMBL29053135 0.81
SCHEMBL25853363 0.80 TSHR (0.37) TSHRHCAR2LMNA
SCHEMBL30415488 0.79 SMN1; SMN2 (0.39) TSHRHCAR2
SCHEMBL50447 0.79
SCHEMBL4867613 0.79
SCHEMBL4382224 0.77 ALDH1A1 (0.40) HCAR2LMNA
SCHEMBL14028141 0.77
SCHEMBL9285025 0.77 TDP1 (0.42) TSHR
SCHEMBL18647154 0.77 TDP1 (0.38) TSHRLMNA

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-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed