SCHEMBL28449636

SCHEMBL28449636

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=C(O)O.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.51
GRIN2B Q13224 8/20 0.51
GRIN2D O15399 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2C Q14957 2/20 0.51
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
EFNA1 P20827 1/20 0.47
EPHA2 P29317 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27718581 0.89 MEN1 (0.53) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL17164634 0.88 GRIN1 (0.47) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL29426384 0.82 EPHA2 (0.46) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
Sulfuric Acid SCHEMBL31387682 0.81 GRIN2D (0.64) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL11345742 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL497658 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL6044996 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL11060164 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL13988189 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1
SCHEMBL6045004 0.80 MEN1 (0.58) MEN1LMNAKMT2AAKR1B10AKR1B1

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-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 CN disclosed