SCHEMBL21714522

SCHEMBL21714522

C=C(C)C(=O)OCCC.CCN(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.55
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
HCAR2 Q8TDS4 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
CHRM1 P11229 2/20 0.32
ESR1 P03372 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL16573 0.89
SCHEMBL21772349 0.89 TSHR (0.69) TSHRTHRBALDH1A1TDP1POLB
Trimethylammonium SCHEMBL6875784 0.88 TSHR (0.62) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL31029924 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6879356 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL28868459 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL8572537 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1514196 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrogen Sulfide SCHEMBL6879353 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL31358617 0.87 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB

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
EP-3830236-A2 CELL CULTURE SUBSTRATE TERUMO Kabushiki Kaisha (JP) 2021-06-09 EP disclosed
WO-2020036203-A2 CELL CULTURE SUBSTRATE TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 WO disclosed
US-20200056137-A1 CELL CULTURE SUBSTRATE COMPRISING A COPOLYMER AND A STRUCTURAL UNIT TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 US disclosed