SCHEMBL18879751

SCHEMBL18879751

CCOCCOCCN1CCOCCOCCN(C)CCOc2cc(F)ccc2OCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 1/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
ALDH3A1 P30838 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 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
SCHEMBL18879757 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ETSHRALDH1A1TP53
SCHEMBL24525658 0.85 ALDH1A1 (0.44) SMN1; SMN2KDM4ETSHRALDH1A1TP53
SCHEMBL18879752 0.82 HTT (0.46) SMN1; SMN2KDM4EALDH1A1TP53LTA4H
SCHEMBL19801513 0.79 KDM4E (0.50) SMN1; SMN2KDM4ETSHRALDH1A1HTT
SCHEMBL19801507 0.79 KDM4E (0.50) SMN1; SMN2KDM4ETSHRALDH1A1HTT
SCHEMBL19801508 0.77 ALDH1A1 (0.46) SMN1; SMN2KDM4ETSHRALDH1A1HTT
SCHEMBL3299959 0.74 KDM4E (0.55) SMN1; SMN2KDM4ETSHRALDH1A1HTT
SCHEMBL14803381 0.71 MAPT (0.44) SMN1; SMN2KDM4ETSHRNPC1LTA4H
SCHEMBL18072184 0.71 MAPT (0.44) SMN1; SMN2KDM4ETSHRNPC1LTA4H
SCHEMBL474810 0.71 ALDH1A1 (0.51) SMN1; SMN2KDM4ETSHRALDH1A1HTT

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-9655982-B2 Formation and uses of europium complexes WAYNE STATE UNIVERSITY (US) 2017-05-23 US disclosed