SCHEMBL28924239

SCHEMBL28924239

CCCCCCCCCOCCCCC(OCCCCCCCCC)OCOCOC(CCCCOCCCCCCCCC)OCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
DNM1 Q05193 1/20 0.40
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38
SMPD1 P17405 3/20 0.38
USP2 O75604 1/20 0.38
CES2 O00748 1/20 0.36
TLR2 O60603 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28642565 0.96 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28631347 0.96 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28631867 0.93 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28640897 0.93 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28638530 0.91 HTT (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL28638575 0.88 HTT (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL873033 0.86 DNM1 (0.50) THRBDNM1SMPD1
SCHEMBL18180586 0.86 DNM1 (0.50) THRBDNM1SMPD1
SCHEMBL21828326 0.86 DNM1 (0.50) THRBDNM1SMPD1
SCHEMBL19123980 0.86 DNM1 (0.50) THRBDNM1SMPD1

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
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