SCHEMBL6750769

SCHEMBL6750769

CC(C)(C)c1cc(CC(CCCCCCC(Cc2ccc(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FOLH1 Q04609 8/20 0.45
KDM6B O15054 1/20 0.42
PPARG P37231 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL604340 0.95 GAA (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30891619 0.90 KDM6B (0.45) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30077243 0.88 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2133184 0.88 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL18040263 0.87 KDM6B (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28170347 0.87 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2131061 0.84 KDM6B (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL106365 0.84 HMGCR (0.47) GAAATMNPSR1FOLH1PPARG
SCHEMBL2546373 0.83 PPARG (0.48) FOLH1PPARGPTGESALOX5
SCHEMBL9845237 0.81 KDM6B (0.45) GAAXBP1ATMNPSR1L3MBTL1

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
US-20040144960-A1 Resin-magnet composition KABUSHIKI KAISHA BRIGESTONE (JP) 2004-07-29 US disclosed