SCHEMBL20148190

SCHEMBL20148190

C=C(C)C(=O)OCCC(C)(C)CC(C)CCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.41
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACE2 Q9BYF1 1/20 0.30
MAPK1 P28482 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL8919598 0.84 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7063038 0.81 TSHR (0.44) TSHRTHRBCA2CA1TDP1
SCHEMBL665126 0.81 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11528787 0.81 TSHR (0.61) TSHRTHRBCA2CA1POLB
SCHEMBL7803930 0.77 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23494244 0.77 TSHR (0.55) TSHRTHRBCA2CA1POLB
SCHEMBL7126454 0.77 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8965485 0.77 THRB (0.53) TSHRTHRBCA2CA1POLB
SCHEMBL11526952 0.76 TSHR (0.64) TSHRTHRBCA1POLBAPEX1
SCHEMBL1897951 0.76 TSHR (0.58) TSHRTHRBCA2CA1TDP1

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-20180134983-A1 ULTRA-FLUID LUBRICATING COMPOSITION TOTALENERGIES ONETECH (FR) 2018-05-17 US disclosed