SCHEMBL6937606

SCHEMBL6937606

CN(C(=O)CC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL6938799 0.84 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11076670 0.78 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11801976 0.74 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20841986 0.74 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19796189 0.74 MEN1 (0.44) ALDH1A1SMN1; SMN2HSD11B1TSHRUSP2
SCHEMBL20841984 0.73 EPHX2 (0.60)
SCHEMBL28751556 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4548629 0.71 EPHX2 (0.58) KDM4EHTTHDAC3HDAC1HDAC7
SCHEMBL10248031 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16301146 0.69 GRIN2D (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 EP disclosed
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 EP disclosed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 WO disclosed