SCHEMBL30849896

SCHEMBL30849896

C/C=C/C(=O)OCCOCCOC(=O)/C=C/C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 6/20 0.43
THRB P10828 1/20 0.40
GSTP1 P09211 1/20 0.39
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 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
SCHEMBL1637673 1.00 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27716011 0.93 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8673805 0.93 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21636771 0.93 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8734426 0.92 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13241272 0.92 ALDH1A1 (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28865015 0.92 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11107400 0.92 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10547653 0.92 ALDH1A1 (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19292019 0.92 ALDH1A1 (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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
EP-2723790-B1 SUGAR-BASED POLYURETHANES, METHODS FOR THEIR PREPARATION, AND METHODS OF USE THEREOF SES FOAM LLC (US) 2024-03-20 EP disclosed