SCHEMBL23530360

SCHEMBL23530360

C=C(C)C(=O)OCCCCCCNC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.37
NMT2 O60551 2/20 0.37
NMT1 P30419 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACHE P22303 6/20 0.35

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
SCHEMBL23530388 1.00 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23530342 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL344387 0.93 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5070605 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26306 0.86 THRB (0.48) TSHRPOLBAPEX1HTTTDP1
Bromide SCHEMBL11526296 0.84 THRB (0.47) TSHRPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL1396466 0.84 THRB (0.47) TSHRPOLBAPEX1HTTTDP1
Fluoride SCHEMBL8582115 0.84 THRB (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22187021 0.84 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.82 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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