SCHEMBL7835698

SCHEMBL7835698

COC(=O)c1c(C)[nH]c2ccc(O)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.76
NR4A2 P43354 2/20 0.67
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
UBE2N P61088 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
ALOX5 P09917 9/20 0.54

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
SCHEMBL17796014 0.89 GAA (0.62) GAANR4A2GABRPGABRDGABRA1
SCHEMBL27626028 0.89 NR4A2 (0.65) GAANR4A2GABRPGABRDGABRA1
SCHEMBL18932679 0.87 NR4A2 (0.67) GAANR4A2HSD17B10ALDH1A1KDM4E
SCHEMBL2005093 0.86 GAA (1.00) GAAALOX5HSD17B10ALDH1A1KDM4E
SCHEMBL31286098 0.86 GAA (1.00) GAAALOX5HSD17B10ALDH1A1KDM4E
SCHEMBL11790716 0.85 GAA (0.68) GAANR4A2ALOX5HSD17B10ALDH1A1
SCHEMBL7815779 0.85 GAA (0.68) GAANR4A2GABRPGABRDGABRA1
SCHEMBL7831236 0.85 GAA (0.67) GAANR4A2ALOX5HSD17B10ALDH1A1
SCHEMBL18919114 0.84 ALDH1A1 (0.65) GAANR4A2HSD17B10ALDH1A1KDM4E
SCHEMBL5236009 0.84 NR4A2 (0.63) GAANR4A2ALOX5HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1344270-A Functionalized heterocycles as chemokine receptor modulators THOUSAND YEARS MEDICAMENTS INC (US) 2002-04-10 CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed