SCHEMBL6159216

SCHEMBL6159216

O=C(O)CCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.52
GRIN3B O60391 3/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2B Q13224 3/20 0.52
GRIN2C Q14957 3/20 0.52
GRIN3A Q8TCU5 3/20 0.52
EPHX2 P34913 7/20 0.50
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6865283 1.00 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758579 0.94 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6864625 0.94 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10756954 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9242092 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6046118 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11030815 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10760637 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10757410 0.92 EPHX2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27033177 0.92 EPHX2 (0.53) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426545-A Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-17 US claimed
US-4424387-A STRONG ACID, BRANCHING EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-03 US claimed
CN-116710465-A Adenosine derivatives and pharmaceutical compositions containing the same 腾盛博药生物科技有限公司 2023-09-05 CN disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US 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
EP-0119359-B1 ADAMANTYL CARBOXYLIC AND SULFONIC ACID CATALYZED PARAFFIN-OLEFIN ALKYLATION AND PARAFFIN ISOMERIZATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-06-10 EP disclosed
EP-0119359-A1 Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation and paraffin isomerization EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-09-26 EP disclosed
US-4426545-A Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-17 US disclosed
US-4424387-A STRONG ACID, BRANCHING EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-03 US disclosed
US-4086417-A ANTILEUKEMIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed