SCHEMBL28089769

SCHEMBL28089769

Cc1cc(C)c(CP(=O)(c2ccccc2)C(C)C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CFTR P13569 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NR3C1 P04150 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPN4 P29074 2/20 0.32
PTPN9 P43378 2/20 0.32
PTPN11 Q06124 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1326156 0.80 HTT (0.41) ALDH1A1HTTCFTRMEN1KMT2A
SCHEMBL35192 0.80 HTT (0.53) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL19008528 0.78 CFTR (0.52) ALDH1A1HTTCFTRMEN1KMT2A
SCHEMBL17446549 0.75 ALDH1A1 (0.42) ALDH1A1HTTL3MBTL1CFTRMEN1
Lithium Ion SCHEMBL28396394 0.75 HTT (0.39) ALDH1A1HTTCFTRMEN1KMT2A
SCHEMBL1559114 0.75 HTT (0.45) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL18955117 0.75 HTT (0.39) ALDH1A1HTTL3MBTL1CFTRMEN1
SCHEMBL17446550 0.73 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1CFTRMEN1
SCHEMBL2304233 0.72 AOX1 (0.50) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL1203711 0.69 CFTR (0.40) ALDH1A1HTTL3MBTL1CFTRMEN1

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-105874015-A Dyes, fillers prepared therefrom, compositions comprising fillers, and methods of determining the degree of cure of such compositions 3M创新有限公司 2016-08-17 CN disclosed