SCHEMBL882116

SCHEMBL882116

COC1O[C@H]([C@@H](C)OC(=O)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL384061 1.00 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL16300870 1.00 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL780151 0.85 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL384063 0.85 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL8322180 0.85 ALDH1A1 (0.46) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL6101745 0.84 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL882273 0.84 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL10249272 0.84 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL22509003 0.82 SLC6A4 (0.49) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL6102641 0.82 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APOLBMAPT

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-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed