SCHEMBL9244367

SCHEMBL9244367

ClCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.56
GRIN3B O60391 4/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
GRIN2B Q13224 4/20 0.56
GRIN2C Q14957 4/20 0.56
GRIN3A Q8TCU5 4/20 0.56
EPHX2 P34913 6/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL11697939 0.82 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.77 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5149317 0.77 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL4028179 0.74 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1677979 0.74 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13998865 0.74 MEN1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1558863 0.72 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1558931 0.72 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL237473 0.72 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL771307 0.72 GRIN2D (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
US-5455072-A Initiation and bonding of diamond and other thin films BENSION ROUVAIN M (US) 1995-10-03 US disclosed
EP-0598361-A1 Initiation and bonding of diamond and other thin films Bension, Rouvain M. (US) 1994-05-25 EP disclosed