SCHEMBL19954643

SCHEMBL19954643

CC(C)COC(=O)C(C)(CC(C)(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.35
PRKCA P17252 1/20 0.34
P2RX4 Q99571 1/20 0.32
MMP8 P22894 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 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
SCHEMBL15521040 0.82 MMP8 (0.40) TSHRALDH1A1PRKCAP2RX4MMP8
SCHEMBL13452052 0.82 MMP8 (0.43) TSHRALDH1A1MMP8GAA
SCHEMBL6897011 0.80 TSHR (0.41) TSHRALDH1A1PRKCAP2RX4MMP8
SCHEMBL26195200 0.80
SCHEMBL8161595 0.79 TSHR (0.37) TSHRALDH1A1PRKCAP2RX4MMP8
SCHEMBL12699505 0.79 ALDH1A1 (0.32) TSHRALDH1A1PRKCASMN1; SMN2
SCHEMBL2456917 0.79 TSHR (0.37) TSHRALDH1A1PRKCAP2RX4MMP8
SCHEMBL18516835 0.79 GRM1 (0.34) TSHRALDH1A1MMP8
SCHEMBL10228187 0.78 HTT (0.42)
SCHEMBL18175685 0.78 TSHR (0.33) TSHR

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-9914845-B2 Fine silver particle dispersing solution DOWA ELECTRONICS MATERIALS CO., LTD. (JP) 2018-03-13 US disclosed