SCHEMBL28868700

SCHEMBL28868700

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL10752392 0.83 TSHR (0.31) TSHRADRA1APDE4D
SCHEMBL10752395 0.83 TSHR (0.31) TSHRADRA1APDE4D
SCHEMBL10503828 0.77 OPRK1 (0.31)
SCHEMBL10747606 0.77 LMNA (0.40)
SCHEMBL10505364 0.77 LMNA (0.40)
SCHEMBL10748628 0.77 OPRK1 (0.31)
SCHEMBL11579555 0.73 TSHR (0.36) TSHRADRA1APDE4D
SCHEMBL28012521 0.72 NPSR1 (0.39) TSHRHCAR2
SCHEMBL832577 0.72 NPSR1 (0.39) TSHRHCAR2
SCHEMBL10532758 0.72

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
CN-109219653-A detergent composition 横滨橡胶株式会社 2019-01-15 CN disclosed