SCHEMBL108711

SCHEMBL108711

C=C(C)C(=O)OCCCCCNCC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
THRB P10828 1/20 0.49
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 9/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 1/20 0.37
EPHX1 P07099 1/20 0.37
SAT1 P21673 1/20 0.37

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
SCHEMBL23530373 1.00 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL107923 0.98 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL108888 0.93 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL28246373 0.91 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530416 0.88 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530414 0.88 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530346 0.88 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530352 0.88 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
Diethylamine SCHEMBL499468 0.86 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530355 0.86 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT

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 3 patents. 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
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed