SCHEMBL19150511

SCHEMBL19150511

C=CC(=O)OCCNC(=O)/C=C/C(=O)OCCNC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ZDHHC20 Q5W0Z9 3/20 0.40
ZDHHC2 Q9UIJ5 3/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ATM Q13315 1/20 0.37
THRB P10828 2/20 0.36
HCAR2 Q8TDS4 2/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 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
SCHEMBL2721018 0.88 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10080346 0.87 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18412214 0.85 ATM (0.48) TSHRALDH1A1HIF1AHSD17B10MAPT
SCHEMBL14984894 0.82 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28743358 0.82 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608267 0.82 HCAR2 (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16037902 0.80 HCAR2 (0.50) TSHRALDH1A1HIF1AHSD17B10MAPT
SCHEMBL16037900 0.80 HCAR2 (0.50) TSHRALDH1A1HIF1AHSD17B10MAPT
SCHEMBL1043171 0.79 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10093597 0.79 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A

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
WO-2017124040-A1 BIOCOMPATIBLE POLYSACCHARIDE HYDROGELS AND METHODS OF USAGE SUN GUOMING (US) 2017-07-20 WO disclosed