SCHEMBL11053276

SCHEMBL11053276

CCCCCCCCCC[Mg]CC=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH4 P08319 2/20 0.39
ADH7 P40394 2/20 0.39
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.38
TOP1 P11387 2/20 0.32
TRPM8 Q7Z2W7 4/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
EPHX2 P34913 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
SCHEMBL150653 1.00 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL5680694 1.00 TSHR (0.48) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL152136 0.90
SCHEMBL1653708 0.79
SCHEMBL5552653 0.79 TSHR (0.58) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL8602710 0.76 TSHR (0.48) TSHRFAAHTHRB
SCHEMBL11041293 0.76 TSHR (0.57) TSHREPHX1THRB
SCHEMBL10317806 0.76 TSHR (0.57) TSHREPHX1THRB
SCHEMBL6234379 0.76 TSHR (0.57) TSHREPHX1THRB
SCHEMBL152301 0.76 TSHR (0.57) TSHREPHX1THRB

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
US-4451688-A Process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1984-05-29 US disclosed