SCHEMBL23530355

SCHEMBL23530355

C=C(C)C(=O)OCCCCNCCCC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
THRB P10828 1/20 0.49
ACHE P22303 13/20 0.47
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PAOX Q6QHF9 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL23530416 0.98 TSHR (0.74) TSHRTHRBACHEPOLBAPEX1
SCHEMBL23530352 0.98 TSHR (0.74) TSHRTHRBACHEPOLBAPEX1
SCHEMBL3281164 0.95 TSHR (0.68) TSHRTHRBACHEPOLBAPEX1
SCHEMBL23530413 0.93 TSHR (0.66) TSHRTHRBACHEPOLBAPEX1
SCHEMBL23530414 0.92 TSHR (0.69) TSHRTHRBACHEPOLBAPEX1
SCHEMBL23530346 0.92 TSHR (0.69) TSHRTHRBACHEPOLBAPEX1
SCHEMBL27680605 0.91 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL331327 0.91 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL7892697 0.90 TSHR (0.66) TSHRTHRBACHEPOLBAPEX1
SCHEMBL9279514 0.88 TSHR (0.69) TSHRTHRBACHEPOLBAPEX1

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
WO-2021122709-A1 TEXTILE COATED WITH MALODOR REDUCING POLYMERS BASF SE (DE) 2021-06-24 WO disclosed