SCHEMBL28409145

SCHEMBL28409145

C=C(C)C(=O)OCCCNC(C)(C)CC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.35
EPHX1 P07099 1/20 0.32
ACHE P22303 6/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL20240911 0.90 THRB (0.49) TSHRTHRBTDP1POLBAPEX1
SCHEMBL344387 0.85 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL29112746 0.81 TSHR (0.54) TSHRTHRBTDP1POLBAPEX1
SCHEMBL12624268 0.81 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL23530342 0.80 TSHR (0.56) TSHRTHRBTDP1POLBAPEX1
Bromide SCHEMBL14353535 0.80 TSHR (0.60) TSHRTHRBTDP1POLBAPEX1
SCHEMBL23530360 0.79 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
SCHEMBL23530388 0.79 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
Bromide SCHEMBL14353533 0.79 TSHR (0.63) TSHRTHRBTDP1POLBAPEX1
SCHEMBL20240857 0.77 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1

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
CN-111107975-A Resin composition, method for producing three-dimensional object using same, three-dimensional object, fitting for holding object, and industrial robot using same 柯尼卡美能达株式会社 2020-05-05 CN disclosed