SCHEMBL4065862

SCHEMBL4065862

C=CC(=O)OC(C=O)COCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.33
CYP3A4 P08684 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
SCHEMBL3831873 0.87 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4060761 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4063252 0.81 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9436986 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11105602 0.79 TSHR (0.38) TSHRALDH1A1HSD17B10
SCHEMBL28584448 0.79 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6419718 0.78 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4065864 0.77 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL28020838 0.76 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18116369 0.76 TSHR (0.41) 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 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