SCHEMBL9513879

SCHEMBL9513879

CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2[C@@H](Cl)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 4/20 0.39
ATM Q13315 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.36
LIPE Q05469 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL9513939 1.00 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7328550 0.91 EPHX2 (0.49) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL8635461 0.91 EPHX2 (0.49) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL9514046 0.86 EPHX2 (0.47) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL9515086 0.85 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL9515288 0.85 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL10446423 0.84 EPHX2 (0.45) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7423742 0.82 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4654164 0.82 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL14016078 0.82 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378456-B1 TETRALIN DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-15 EP disclosed
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
EP-0381902-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-16 EP disclosed
EP-0378456-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-18 EP disclosed