SCHEMBL22857774

SCHEMBL22857774

CCCCCCCCCCCOCCCC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAAA Q02083 2/20 0.43
SIGMAR1 Q99720 3/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL16387827 0.89 CYP1A2 (0.71) CYP1A2NAAASIGMAR1
SCHEMBL23014720 0.88 CYP1A2 (0.56) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL10648552 0.86 CYP1A2 (0.59) CYP1A2NAAASIGMAR1SPHK2SPHK1
SCHEMBL6437482 0.85 CYP1A2 (0.64) CYP1A2NAAASIGMAR1
SCHEMBL9591265 0.85 CYP1A2 (0.50) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL9591269 0.85 CYP1A2 (0.50) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL598502 0.84 CYP1A2 (0.76) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL598906 0.84 CYP1A2 (0.76) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL599105 0.84 CYP1A2 (0.76) CYP1A2MEN1THRBHTTKMT2A
SCHEMBL599537 0.84 CYP1A2 (0.76) CYP1A2MEN1THRBHTTKMT2A

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