SCHEMBL22142802

SCHEMBL22142802

Cc1cccc(OP(Oc2ccc(OP(Oc3cccc(C)c3)Oc3cccc(C)c3)cc2)Oc2cccc(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
GAA P10253 2/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
AR P10275 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
GFER P55789 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL593825 0.96 ACHE (0.60) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL11678195 0.93 ACHE (0.58) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL28448860 0.85 ACHE (0.59) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL2185236 0.85 ALDH1A1 (0.44) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL28448878 0.80 ACHE (0.48) ACHEALDH1A1TDP1L3MBTL1LMNA
SCHEMBL21065812 0.80 ACHE (0.48) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL1726625 0.80 ACHE (0.48) ACHEALDH1A1TDP1L3MBTL1LMNA
SCHEMBL28897205 0.80 ACHE (0.48) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL28452582 0.80 ACHE (0.58) ACHEALDH1A1TDP1HTTL3MBTL1
SCHEMBL446426 0.79 HTT (0.48) ACHEALDH1A1TDP1HTTLMNA

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
WO-2020124996-A1 METHOD FOR STABILIZING PHOSPHITE LIGAND AND APPLICATION THEREOF 浙江新和成股份有限公司 2020-06-25 WO disclosed