SCHEMBL11684157

SCHEMBL11684157

CC1(C)OCC(COC(=O)c2cccc(C(=O)OCC3COC(C)(C)O3)c2)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
NAMPT P43490 3/20 0.38

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
SCHEMBL6933031 0.90 ALDH1A1 (0.52) HTR7CA2ALDH1A1TMEM97SIGMAR1
SCHEMBL2493185 0.90 ALDH1A1 (0.52) HTR7CA2ALDH1A1TMEM97SIGMAR1
SCHEMBL9098184 0.90 ALDH1A1 (0.52) HTR7CA2ALDH1A1TMEM97SIGMAR1
SCHEMBL19321859 0.87 HTR7 (0.56) HTR7CA2ALDH1A1TMEM97SIGMAR1
SCHEMBL9739143 0.84 HTR7 (0.48) HTR7CA2ALDH1A1NPC1
SCHEMBL24088547 0.84 MAPT (0.48) HTR7ALDH1A1
SCHEMBL30621799 0.84 MAPT (0.48) HTR7ALDH1A1
SCHEMBL6496114 0.84 HTR7 (0.54) HTR7CA2ALDH1A1TMEM97SIGMAR1
SCHEMBL19136746 0.83 KMT2A (0.49) HTR7ALDH1A1TMEM97SIGMAR1NPC1
SCHEMBL19354803 0.83 HTR7 (0.53) HTR7CA2ALDH1A1NAMPT

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-4009129-A FOAMING, CATIONIC CATALYSTS UNION CARBIDE CORPORATION (US) 1977-02-22 US disclosed