SCHEMBL6945245

SCHEMBL6945245

C=CC(=O)OCC(N)(CCCC(C)C)CCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 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
SCHEMBL11851855 0.80 TSHR (0.48) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL15646005 0.77 TSHR (0.52) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL650621 0.75 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL692055 0.75 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL1727371 0.75 TSHR (0.50) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL6945246 0.74 TSHR (0.41) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL1259928 0.74 TSHR (0.67) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL25275202 0.73 TSHR (0.70) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL25275191 0.73 TSHR (0.70) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL25270629 0.73 TSHR (0.70) TSHRALDH1A1CYP3A4TP53HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972783-B1 Method for producing amphoteric resin having dispersing function TAISEI CHEMICAL IND LTD (JP) 2003-05-28 EP disclosed
EP-0972783-A1 Method for producing amphoteric resin having dispersing function Taisei Chemical Industries Ltd (JP) 2000-01-19 EP disclosed