SCHEMBL9744727

SCHEMBL9744727

CC(C)c1ccc(-c2ccc(O)c(O)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.48
TYR P14679 1/20 0.48
ERN1 O75460 2/20 0.46
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
GYS1 P13807 4/20 0.42
PIK3CA P42336 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 2/20 0.39
TRPA1 O75762 1/20 0.39
CACNA1C Q13936 1/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL9743185 0.82 LMNA (0.47) RNASEH1TYRERN1ALDH1A1GAA
SCHEMBL25898933 0.79 PTGS1 (0.57) RNASEH1TYRERN1ALDH1A1GAA
SCHEMBL17707900 0.79 TYR (0.50) RNASEH1TYRERN1ALDH1A1GAA
SCHEMBL9742695 0.78 RXRA (0.51) RNASEH1TYRALDH1A1GAAALOX12
SCHEMBL7435559 0.78 TRPA1 (0.55) RNASEH1TYRERN1ALDH1A1GAA
Isobutane SCHEMBL27537403 0.78 BACE1 (0.48) ALDH1A1GAAALOX12GYS1MEN1
SCHEMBL2870997 0.77 ALOX15 (0.47) ALDH1A1ALOX12GYS1PIK3CAMEN1
SCHEMBL8647267 0.76 GYS1 (0.59) GAAGYS1PIK3CA
SCHEMBL14252297 0.76 TYR (0.48) RNASEH1TYRERN1ALDH1A1GAA
SCHEMBL27436464 0.74 TYR (0.43) RNASEH1TYRERN1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed