SCHEMBL30979255

SCHEMBL30979255

CC(C)Cc1ccc(O)c(CCc2ccccc2O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.69
GABRB2 P47870 2/20 0.69
ALOX15 P16050 3/20 0.44
ALOX12 P18054 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL5168024 0.83 GABRA1 (0.73) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL318750 0.82 GABRA1 (1.00) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL6279163 0.81 GABRA1 (0.61) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL4798703 0.80 GABRA1 (0.69) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL13708433 0.80 GABRA1 (0.69) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL3638974 0.80 GABRA1 (0.63) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL24712454 0.79 GABRA1 (0.79) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL5167046 0.79 GABRA1 (0.79) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL6345841 0.78 GABRA1 (0.57) GABRA1GABRB2ALOX15ALOX12MAPK1
SCHEMBL28916258 0.77 GABRA1 (0.89) GABRA1GABRB2ALOX15ALOX12MAPK1

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-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed