SCHEMBL23920574

SCHEMBL23920574

COCCCCCCN1CCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
SLC6A1 P30531 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
NR1I2 O75469 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 4/20 0.37

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
SCHEMBL16418017 0.94 SMN1; SMN2 (0.43) SMN1; SMN2SLC6A1LTA4HRAB9AACE
SCHEMBL4959163 0.87 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HRAB9AACE
SCHEMBL6568062 0.87 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HRAB9AACE
SCHEMBL4959171 0.87 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HRAB9AACE
SCHEMBL23920573 0.87 POLB (0.40) SMN1; SMN2ALDH1A1S1PR4S1PR1S1PR3
SCHEMBL22585402 0.85 LTA4H (0.42) SMN1; SMN2SLC6A1LTA4HRAB9AACE
SCHEMBL7262164 0.85 FKBP1A (0.38) LTA4HRAB9A
SCHEMBL9150667 0.83 S1PR1 (0.51) SMN1; SMN2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5513172 0.83 S1PR1 (0.51) SMN1; SMN2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8674297 0.83 S1PR1 (0.51) SMN1; SMN2S1PR4S1PR1S1PR3S1PR5

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-20210317495-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2021-10-14 US disclosed