SCHEMBL28580980

SCHEMBL28580980

CC(C)(C)[Si](C)(C)OCCCCOc1ccccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
RAD52 P43351 1/20 0.45
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DUT P33316 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL28693496 0.99 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL12634929 0.93 ALDH1A1 (0.64) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL31367158 0.93 ALDH1A1 (0.64) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL25386609 0.89 ALDH1A1 (0.58) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL17558097 0.81 TUBB1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL29398599 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL22843772 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8372730 0.80 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL17558155 0.80 BACE1 (0.37) ALDH1A1PTGDR2KMT2AMEN1MAPT
SCHEMBL1805185 0.80 NPC1 (0.38) ALDH1A1HPGDHTTSMN1; SMN2KDM4E

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
CN-107879960-B Lipids and lipid compositions for delivery of active ingredients 诺华股份有限公司 2021-06-22 CN disclosed