SCHEMBL27468451

SCHEMBL27468451

CCC(CN(C)C)c1cccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
TYR P14679 1/20 0.48
ACHE P22303 1/20 0.48
TSHR P16473 3/20 0.43
SLC22A1 O15245 1/20 0.39
OPRM1 P35372 1/20 0.39
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADAMTS4 O75173 1/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL5589704 0.85 TSHR (0.52) BCHETYRACHETSHRLMNA
SCHEMBL5587506 0.79 BCHE (0.46) BCHETYRACHETSHRLMNA
SCHEMBL27283526 0.77 BCHE (0.45) BCHETYRACHETSHRLMNA
SCHEMBL5590244 0.76 BCHE (0.44) BCHETYRACHETSHRLMNA
SCHEMBL27689842 0.76 TSHR (0.47) BCHETYRACHETSHRLMNA
SCHEMBL9325675 0.75 GABRA1 (0.54) BCHETYRACHETSHROPRM1
SCHEMBL27848622 0.75 ACHE (0.43) BCHETYRACHETSHRLMNA
SCHEMBL27661251 0.74 BCHE (0.61) BCHETYRACHETSHRLMNA
SCHEMBL27579418 0.74 BCHE (0.49) BCHETYRACHETSHRLMNA
SCHEMBL27436792 0.73 BCHE (0.42) BCHETYRACHETSHRLMNA

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-1134959-A Mixtures of phenolic novolaks for use with refractory aggregate and methods for making same BORDEN INC (US) 1996-11-06 CN claimed