SCHEMBL11226850

SCHEMBL11226850

NC(=O)C=CCC=CC(N)=O.O=CC=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.36
GABRR2 P28476 2/20 0.36
BLM P54132 2/20 0.36
TSHR P16473 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.32
FGFR4 P22455 1/20 0.32
CNR1 P21554 1/20 0.30

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
SCHEMBL30262989 0.91 TSHR (0.41) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL28069237 0.91 TSHR (0.41) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL33774 0.91 TSHR (0.41) GABRR1GABRR2BLMTSHRGABRR3
Formic Acid SCHEMBL11523486 0.89 GABRR1 (0.36) GABRR1GABRR2BLMTSHRGABRR3
Ammonia Solution, Strong SCHEMBL27750230 0.88 TSHR (0.39) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL28057882 0.88 TSHR (0.39) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL28328042 0.88 TSHR (0.39) GABRR1GABRR2BLMTSHRGABRR3
Ammonia Solution, Strong SCHEMBL27914658 0.88 TSHR (0.39) GABRR1GABRR2BLMTSHRGABRR3
Methylamine SCHEMBL7738775 0.86 TSHR (0.38) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL8461708 0.83 PPARA (0.38) GABRR1GABRR2BLMTSHRGABRR3

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
US-4330441-A Solvent-soluble substances characterized in that water-soluble cellulose ethers are chemically bonded to water-soluble, at least predominately synthetic polymers containing acrylic units WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed