SCHEMBL9681605

SCHEMBL9681605

CC(C)OC1c2ccccc2CC(NC(=O)OC(C)(C)C)C1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
DRD2 P14416 2/20 0.40
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.37
GRM7 Q14831 2/20 0.36
IDO1 P14902 1/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
MAPK14 Q16539 1/20 0.35
KCNA3 P22001 1/20 0.35
NR1I3 Q14994 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL9513812 1.00 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL10446423 0.88 EPHX2 (0.45) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL9514046 0.83 EPHX2 (0.47) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL9515086 0.81 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL9513939 0.81 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL9515288 0.81 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL9513879 0.81 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL3820432 0.79 EPHX2 (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL7375062 0.78 KDM1A (0.46) EPHX2KDM1AMAOBDRD2KMT2A
SCHEMBL7375058 0.78 KDM1A (0.46) EPHX2KDM1AMAOBDRD2KMT2A

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
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed