SCHEMBL28298949

SCHEMBL28298949

CCCCCCOB(O)O.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
NAAA Q02083 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CES2 O00748 1/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL29250541 1.00 THRB (0.43) THRBMEN1HTTKMT2AMAPT
SCHEMBL2338285 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL31307196 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL31307194 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL4849476 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL23302194 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL4861420 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL5715855 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL4190029 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL187351 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT

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-109890830-A Manufacture triaryl-it is organic-method of borate 科思创德国股份有限公司 2019-06-14 CN disclosed