SCHEMBL1924504

SCHEMBL1924504

C=C(C#N)C(=O)OC(CC)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CTSK P43235 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
SCHEMBL5889388 0.88 ALDH1A1 (0.57) TSHRALDH1A1CTSK
SCHEMBL28667562 0.87 ALDH1A1 (0.46) TSHRALDH1A1CTSK
SCHEMBL15519639 0.81 ALDH1A1 (0.50) TSHRALDH1A1CTSK
SCHEMBL22230950 0.79 TSHR (0.47) TSHRALDH1A1CTSK
SCHEMBL448845 0.79 TSHR (0.55) TSHRALDH1A1
SCHEMBL15520525 0.79 TSHR (0.47) TSHRALDH1A1CTSK
SCHEMBL819755 0.78 TSHR (0.46) TSHRALDH1A1CTSK
SCHEMBL4893057 0.77 ALDH1A1 (0.53) TSHRALDH1A1
SCHEMBL15519449 0.77 ALDH1A1 (0.53) TSHRALDH1A1CTSK
SCHEMBL1990863 0.76 ALDH1A1 (0.57) TSHRALDH1A1

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-1957206-B1 APPLICATOR FOR TUBE DISPENSER FOR LOW AND HIGH VISCOSITY ADHESIVE COMPONENTS CHEMENCE INC (US) 2011-06-08 EP disclosed