SCHEMBL22857763

SCHEMBL22857763

CCCCCCCCCCCCOCCO[C@@H]1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GBA2 Q9HCG7 14/20 0.35
GBA1 P04062 9/20 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
SCHEMBL22857785 1.00 ALDH1A1 (0.46) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL6379260 0.91 ALDH1A1 (0.46) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL25777088 0.82 SMN1; SMN2 (0.41) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL458567 0.81 ALDH1A1 (0.43) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL19132924 0.80 SPHK1 (0.47) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL14136582 0.80 SPHK1 (0.47) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL28862976 0.80 ALDH1A1 (0.42) ALDH1A1TDP1SPHK2SPHK1SMN1; SMN2
SCHEMBL21786325 0.80
SCHEMBL17931427 0.80
SCHEMBL21401226 0.80

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-2021000041-A1 IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY Precision Nanosystems Inc. (CA) 2021-01-07 WO disclosed