SCHEMBL28638530

SCHEMBL28638530

CCCCCCCCCCOCCCCC(OCCCCCCCCCC)OCCCOCOCOCCCOC(CCCCOCCCCCCCCCC)OCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
DNM1 Q05193 1/20 0.39
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
SMPD1 P17405 3/20 0.37
USP2 O75604 1/20 0.37
CES2 O00748 1/20 0.35
TLR2 O60603 2/20 0.35
PLA2G2C Q5R387 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL28640897 0.98 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28646564 0.95 TSHR (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL28642565 0.91 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28631347 0.91 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28924239 0.91 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL28651818 0.89 USP2 (0.30) USP2
SCHEMBL28646470 0.89 HTT (0.33) HTTMEN1THRBKMT2AMAPT
SCHEMBL28638575 0.87 HTT (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL28728340 0.86 DNM1 (0.39) HTTMEN1THRBKMT2AMAPT
SCHEMBL28729678 0.86 DNM1 (0.39) HTTMEN1THRBKMT2AMAPT

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