SCHEMBL8348375

SCHEMBL8348375

CCCCC(CC)CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 4/20 0.63
CYP3A4 P08684 2/20 0.63
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA2 P00918 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL2782923 0.81 TSHR (0.70) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL23611735 0.80 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL14365914 0.80 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL123557 0.80 TSHR (1.00) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL28886973 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
Hydrochloric Acid SCHEMBL10525129 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
Hydrochloric Acid SCHEMBL2864398 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL24467442 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
Fluoride SCHEMBL635215 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA
Hydrochloric Acid SCHEMBL10525132 0.78 TSHR (0.95) ALDH1A1TSHRCYP3A4KDM4ELMNA

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-1999021825-A1 HYDROXY FATTY ACID SACCHARIDE AMIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-05-06 WO disclosed