SCHEMBL11368586

SCHEMBL11368586

CC(C)(C)OCOCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL11361040 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28005067 0.95 TSHR (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL81017 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10389811 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL967075 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4140630 0.85 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL20398411 0.83 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8888925 0.81 CYP4F2 (0.38) MEN1KMT2ATSHRMAPK1THRB
Methoxymethane SCHEMBL9183221 0.81 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL13126000 0.79 MAPK1 (0.31) MAPK1

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-4256859-A BONDING TO CROSSLINKED CHLOROMETHYLATED POLYSTYRENE BEADS OR ACRYLATE HOMO- OR COPOLYMERS; PHASE TRANSFER AGENTS; NONTOXIC THE DOW CHEMICAL COMPANY (US) 1981-03-17 US disclosed