SCHEMBL9313546

SCHEMBL9313546

C[Si](C)(C)CCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
SYNJ2 O15056 3/20 0.48
XDH P47989 1/20 0.48
SLC22A1 O15245 1/20 0.46
TYMP P19971 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9313559 1.00 MAOB (0.51) MAOBSYNJ2XDHSLC22A1TYMP
SCHEMBL18880339 0.89 LGALS9 (0.47) MAOBSYNJ2XDHALDH1A1HTT
SCHEMBL18880344 0.89 LGALS9 (0.47) MAOBSYNJ2XDHALDH1A1HTT
SCHEMBL23488265 0.88 MAOB (0.48) MAOBSYNJ2XDHSLC22A1TYMP
SCHEMBL9149012 0.88 LGALS3 (0.45) MAOBSYNJ2ALDH1A1HTTCA1
SCHEMBL23488277 0.87 XDH (0.57) MAOBSYNJ2XDHTYMPALDH1A1
SCHEMBL10397937 0.86 TACR1 (0.42) MAOBXDHTYMPALDH1A1HTT
SCHEMBL10397939 0.86 TACR1 (0.42) MAOBXDHTYMPALDH1A1HTT
SCHEMBL22490854 0.86 ALDH1A1 (0.44) MAOBSYNJ2SLC22A1TYMPALDH1A1
SCHEMBL23488410 0.84 XDH (0.48) MAOBSYNJ2XDHTYMPALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371202-A Processes of preparing sialoglycosyl compounds THE NISSHIN OIL MILLS, LTD. (JP) 1994-12-06 US claimed
US-5371202-A Processes of preparing sialoglycosyl compounds THE NISSHIN OIL MILLS, LTD. (JP) 1994-12-06 US disclosed
US-4918170-A Process for producing gangliosides WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
US-4914035-A REACTING ALKYLTHIOSIALIC ACID DERIVATIVE WITH HYDROXY COMPOUND AT LOW TEMPERATURE IN POLAR SOLVENT WITH THIOPHILIC PROMOTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed