SCHEMBL23530372

SCHEMBL23530372

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.40
EPHX1 P07099 2/20 0.39
ACHE P22303 8/20 0.38
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7164416 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7169812 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL30637259 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
Bromide SCHEMBL28191770 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
Iodide SCHEMBL30637260 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL109252 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL107954 0.92 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL6053163 0.91 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554427 0.86 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554406 0.86 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