SCHEMBL4629904

SCHEMBL4629904

CC(=O)OC(C)=O.CC(=O)Oc1cc(C=O)cc(C)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
HTT P42858 3/20 0.45
SRC P12931 1/20 0.45
POLB P06746 2/20 0.43
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 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
SCHEMBL294264 0.95 FNTA (0.50) FNTAFNTBHTTSRCPOLB
SCHEMBL24110815 0.86 TUBB4A (0.52) FNTAFNTBHTTSRCPOLB
SCHEMBL2392665 0.85 SRC (0.55) FNTAFNTBHTTSRCPOLB
SCHEMBL2939004 0.85 FNTA (0.55) FNTAFNTBHTTPOLBJUN
SCHEMBL22991517 0.81 HTT (0.47) FNTAFNTBHTTPOLBJUN
SCHEMBL21993634 0.79 KDM4E (0.49) FNTAFNTBHTTSRCPOLB
SCHEMBL13168497 0.78 FNTA (0.49) FNTAFNTBHTTPOLBJUN
SCHEMBL19640156 0.77 FNTA (0.39) FNTAFNTBHTTSRCPOLB
SCHEMBL3395431 0.75 TUBB4A (0.62) FNTAFNTBHTTPOLBJUN
SCHEMBL21993633 0.74 ALOX5 (0.44) FNTAFNTBHTTSRCPOLB

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
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed