SCHEMBL21855434

SCHEMBL21855434

NCCOCCOCCOCCN1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNA5 P22460 1/20 0.37
PARP1 P09874 1/20 0.37
TEAD3 Q99594 1/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL15435923 0.84 NAMPT (0.43) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL31305375 0.83 ALOX15 (0.50) ALDH1A1KDM4EALOX15
SCHEMBL25064684 0.83 MAPK1 (0.42) SIGMAR1ALDH1A1LMNAGAAMAPT
SCHEMBL16758742 0.83 HSD11B1 (0.47) ALDH1A1KCNA5KDM4ETDP1MEN1
SCHEMBL20745447 0.83 HSD11B1 (0.47) ALDH1A1KCNA5KDM4ETDP1MEN1
SCHEMBL3553321 0.82 NAMPT (0.44) ALDH1A1MAPK1KCNA5PARP1TEAD3
SCHEMBL15435928 0.81 MEN1 (0.51) SIGMAR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30958401 0.81 ALOX15 (0.52) ALOX15
SCHEMBL6644497 0.80 SIGMAR1 (0.49) SIGMAR1ALOX15
SCHEMBL7604063 0.79 TACR1 (0.40) SIGMAR1KCNA5TEAD3LTA4HTDP1

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-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed