SCHEMBL9680488

SCHEMBL9680488

CC(C)(C)OC(=O)NC1c2ccccc2CCC1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 4/20 0.46
NTRK1 P04629 2/20 0.46
DRD2 P14416 3/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CNR2 P34972 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL13997809 1.00 EPHX2 (0.47) EPHX2TAS1R3TAS1R1TAS1R2NTRK1
SCHEMBL29381250 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL22787577 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL5432481 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL56008 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL29502115 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL57180 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL57241 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL29922190 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT
SCHEMBL25730272 0.88 MEN1 (0.52) EPHX2KMT2AMEN1ALDH1A1NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed