SCHEMBL9825669

SCHEMBL9825669

[CH2]CCOCCCCCOCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.39
CES2 O00748 2/20 0.37
SPHK2 Q9NRA0 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
CES1 P23141 1/20 0.33
EPHX2 P34913 3/20 0.33
LPAR5 Q9H1C0 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27457348 1.00 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL7056893 0.97 HTT (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL4948242 0.92 TSHR (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL1648070 0.92 TSHR (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL816920 0.90 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL816464 0.90 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL984577 0.90 THRB (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL816237 0.90 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL816743 0.90 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL815516 0.90 HTT (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP disclosed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP disclosed