SCHEMBL10000641

SCHEMBL10000641

CCCCCC(CCC)C(c1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1

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
ALOX15 P16050 4/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TYR P14679 2/20 0.41
HTT P42858 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38

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
SCHEMBL6567193 0.84 GAA (0.48) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL5709842 0.82 GAA (0.47) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8088903 0.79 ALOX15 (0.55) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30343447 0.78 ALDH1A1 (0.59) GAAATMALOX15CYP2C9TP53
SCHEMBL1597576 0.78 ALDH1A1 (0.59) GAAATMALOX15CYP2C9TP53
SCHEMBL28425348 0.76 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9092402 0.74 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL1597142 0.73 ALDH1A1 (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30157232 0.73 ALDH1A1 (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL7762347 0.73 GAA (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120175573-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. (US) 2012-07-12 US disclosed
US-8093320-B2 Compositions comprising polyphosphonates and additives that exhibit an advantageous combination of properties, and methods related thereto FRX POLYMERS, INC. (US) 2012-01-10 US disclosed