SCHEMBL16554143

SCHEMBL16554143

OC12CC3CC(CC(C3)C1S)C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL3843092 0.74 GRIN2D (0.35) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL546127 0.72 CYP2C9 (0.39) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL25338011 0.70 GRIN2D (0.38) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL4329163 0.70 LMNA (0.32) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL1015951 0.70 GRIN2D (0.38) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL678264 0.70 GRIN2D (0.33) LMNASLC22A2SLC22A1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1015666 0.68 LMNA (0.40) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL10574918 0.67 GRIN2D (0.38) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL12837488 0.67 EPHX2 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1592795 0.67 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2015035234-A2 ANTI-MICROBIAL COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 WO disclosed