SCHEMBL4067172

SCHEMBL4067172

C=C(C)C(=O)OC(C=O)COCCC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL4062183 0.91 TSHR (0.42) THRBTSHRALDH1A1PLA2G2C
SCHEMBL4065864 0.87 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL4064266 0.83 ALDH1A1 (0.45) THRBTSHRALDH1A1
SCHEMBL28083231 0.80 THRB (0.43) THRBTSHRHSD17B10TDP1ALDH1A1
SCHEMBL4063408 0.78 TDP1 (0.50) THRBTSHRHSD17B10TDP1ALDH1A1
SCHEMBL2515977 0.75 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL11210683 0.75 TSHR (0.42) THRBTSHRHSD17B10
SCHEMBL11240653 0.74 TDP1 (0.54) THRBTSHRHSD17B10TDP1ALDH1A1
SCHEMBL4815158 0.74 TDP1 (0.54) THRBTSHRHSD17B10TDP1ALDH1A1
SCHEMBL11252889 0.74 TDP1 (0.54) THRBTSHRHSD17B10TDP1ALDH1A1

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