SCHEMBL28487569

SCHEMBL28487569

CC(C)Cc1ccc(O)c(CC(C)C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 3/20 0.42
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 4/20 0.33
ALOX12 P18054 4/20 0.33
HIF1A Q16665 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
ESR1 P03372 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL276132 0.82 GABRA1 (0.52) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL1498797 0.80 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL18992092 0.79 GABRA1 (0.50) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL10703793 0.78 GABRA1 (0.48) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL31015759 0.76 GABRA1 (0.52) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL259002 0.74 GABRA1 (0.48) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL6675604 0.74 GABRA1 (0.61) GABRA1GABRB2HPGDHSD17B10KDM4E
Sulfuric Acid SCHEMBL9579664 0.74 GABRA1 (0.44) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL6254407 0.72 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL258656 0.72 GABRA1 (0.63) GABRA1GABRB2HPGDHSD17B10KDM4E

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-112063194-A Xanthene dye, coloring composition containing the dye, coloring agent for color filter, and color filter 保土谷化学工业株式会社 2020-12-11 CN disclosed