SCHEMBL8853161

SCHEMBL8853161

CCCCCCCCOCCOC=CO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55
CES2 O00748 2/20 0.42
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
CES1 P23141 1/20 0.39
PLA2G2C Q5R387 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL8853255 1.00 HTT (0.55) HTTMEN1THRBKMT2AMAPT
SCHEMBL8699680 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL29226972 0.87 THRB (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL27553292 0.87 THRB (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL8852986 0.87 THRB (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL29093104 0.87 THRB (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL28237198 0.87 THRB (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL5136184 0.85
SCHEMBL6419415 0.79 ALDH1A1 (0.43) THRBTSHRALDH1A1
SCHEMBL144981 0.78

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
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed