SCHEMBL9514080

SCHEMBL9514080

CC(C)(C)OC(=O)NC1Cc2ccccc2CC1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
KDM1A O60341 2/20 0.46
MAOB P27338 2/20 0.46
DRD2 P14416 3/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 2/20 0.41
MAOA P21397 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 1/20 0.38
KCNA3 P22001 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL9514086 1.00 EPHX2 (0.52) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL9514077 1.00 EPHX2 (0.52) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL1718184 0.89 DRD2 (0.48) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL9514046 0.82 EPHX2 (0.47) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL8365040 0.82 MTNR1A (0.48) EPHX2DRD2CA1MTNR1AMTNR1B
SCHEMBL7737294 0.82 MTNR1A (0.48) EPHX2DRD2CA1MTNR1AMTNR1B
SCHEMBL7741928 0.82 MTNR1A (0.48) EPHX2DRD2CA1MTNR1AMTNR1B
SCHEMBL173219 0.81 EPHX2 (0.69) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL31694392 0.81 EPHX2 (0.69) EPHX2KDM1AMAOBDRD2NFKB1
SCHEMBL9515381 0.81 EPHX2 (0.41) EPHX2KDM1AMAOBDRD2NFKB1

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