SCHEMBL28644402

SCHEMBL28644402

CCCCCCCCCOC(CCCCCC)(OCCCCCCCCC)OCOCOC(CCCCCC)(OCCCCCCCCC)OCCCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
SMPD1 P17405 1/20 0.32
LPAR3 Q9UBY5 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
LPAR2 Q9HBW0 3/20 0.31
LPAR1 Q92633 2/20 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
SCHEMBL28938816 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28727826 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28638523 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28631863 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28729642 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28938856 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28638794 1.00 THRB (0.36) THRBHTTMEN1KMT2AMAPT
SCHEMBL28729131 0.98 THRB (0.35) THRBHTTMEN1KMT2AMAPT
SCHEMBL28728068 0.98 THRB (0.35) THRBHTTMEN1KMT2AMAPT
SCHEMBL28727754 0.96 THRB (0.32) THRBHTTMEN1KMT2AMAPT

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-114380673-A Dialkoxyalkenylalkoxymethyl ether compounds and process for producing conjugated alkadienal compounds from the same 信越化学工业株式会社 2022-04-22 CN disclosed
CN-113443971-A Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom 信越化学工业株式会社 2021-09-28 CN disclosed