SCHEMBL18800950

SCHEMBL18800950

CCCCCCCCCCCCCCCCCCOCC1(CCCCCCCCCCCCCCCCCC)CNC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES1 P23141 1/20 0.36
CES2 O00748 2/20 0.35
USP2 O75604 1/20 0.33
EPHX2 P34913 2/20 0.32
GBA1 P04062 4/20 0.32
GBA2 Q9HCG7 8/20 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
SCHEMBL22423634 0.88 ALDH1A1 (0.36) ALDH1A1EPHX2
SCHEMBL20307879 0.87 HTT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL18800894 0.85 MEN1 (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL18800899 0.80 TSHR (0.40) THRB
SCHEMBL18800876 0.80 TSHR (0.40) THRB
SCHEMBL22367682 0.79 TSHR (0.35)
SCHEMBL18800993 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL28774497 0.75 ALDH1A1 (0.37) HTTMEN1THRBKMT2AMAPT
SCHEMBL28774513 0.73 SMN1; SMN2 (0.36) HTTMEN1THRBKMT2AMAPT
SCHEMBL17923840 0.72 HTT (0.41) 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
EP-3162794-A1 CATIONIC LIPID Kyowa Hakko Kirin Co., Ltd. (JP) 2017-05-03 EP disclosed