SCHEMBL4063252

SCHEMBL4063252

C=CC(=O)OC(C=O)COC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.32

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
SCHEMBL1322363 0.86 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9436986 0.84 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4065862 0.81 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4060761 0.80 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13383386 0.78 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28976553 0.76 LMNA (0.35) TSHRHSD17B10
SCHEMBL29099355 0.76 LMNA (0.35) TSHRHSD17B10
SCHEMBL28976554 0.76 LMNA (0.35) TSHRHSD17B10
SCHEMBL57563 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4064266 0.76 ALDH1A1 (0.45) TSHRALDH1A1THRB

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
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO claimed
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO disclosed