SCHEMBL21714531

SCHEMBL21714531

C=C(C)C(=O)OCC.CCCN(CCC)CCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.48
ALDH1A1 P00352 8/20 0.47
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPT P10636 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TRPA1 O75762 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL27877328 0.89 TSHR (0.55) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL345460 0.86 TSHR (0.56) THRBTSHRALDH1A1LMNACYP2C9
SCHEMBL21714569 0.86 TSHR (0.56) THRBTSHRALDH1A1LMNAGAA
SCHEMBL28559313 0.86 THRB (0.48) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL16295952 0.86 THRB (0.48) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL19409375 0.85 THRB (0.64) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL15030 0.85
SCHEMBL830218 0.84 TSHR (0.48) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL1476300 0.83 THRB (0.53) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL345336 0.83 TSHR (0.62) THRBTSHRALDH1A1LMNAGAA

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
US-20200056137-A1 CELL CULTURE SUBSTRATE COMPRISING A COPOLYMER AND A STRUCTURAL UNIT TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 US disclosed
WO-2020036203-A2 CELL CULTURE SUBSTRATE TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 WO disclosed