SCHEMBL874562

SCHEMBL874562

CC(C)(C)OC(=O)N[C@@H]1COc2ccc[c]c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ KCNA3 P22001 1/20 0.36

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
SCHEMBL22472834 0.79 EPHX2 (0.59) EPHX2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL19667663 0.76 EPHX2 (0.43) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL19054490 0.76 TP53 (0.44) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL28356770 0.74 MTNR1A (0.45) MTNR1ADRD2MAPT
SCHEMBL31563969 0.73 EPHX2 (0.42) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL6068960 0.72 EPHX2 (0.45) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL6068965 0.72 EPHX2 (0.45) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL5322132 0.72 KDM1A (0.44) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL30799332 0.72 GAA (0.52) EPHX2KMT2AL3MBTL1GAAKDM1A
SCHEMBL30954245 0.72 GAA (0.46) EPHX2KMT2AL3MBTL1GAAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 — — WO claimed
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