SCHEMBL11264043

SCHEMBL11264043

CC(=O)N[C@H]1CC2CC(C)(C1)Oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 6/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL11267573 1.00 EPHX2 (0.39) EPHX2ALOX15KMT2ATRPV1DRD2
SCHEMBL11271812 0.85 TRPV1 (0.36) EPHX2KMT2ATRPV1ALDH1A1
SCHEMBL11271808 0.85 TRPV1 (0.36) EPHX2KMT2ATRPV1ALDH1A1
SCHEMBL11260254 0.85 SMYD3 (0.36) EPHX2KMT2ATRPV1
SCHEMBL11260258 0.85 SMYD3 (0.36) EPHX2KMT2ATRPV1
Hydrochloric Acid SCHEMBL11274019 0.84 SMYD3 (0.35) EPHX2KMT2ATRPV1
SCHEMBL11263328 0.84 EPHX2 (0.36) EPHX2KMT2ATRPV1
SCHEMBL11263325 0.84 EPHX2 (0.36) EPHX2KMT2ATRPV1
Hydrochloric Acid SCHEMBL11274027 0.84 SMYD3 (0.35) EPHX2KMT2ATRPV1
Hydrochloric Acid SCHEMBL11264132 0.83 XIAP (0.40) EPHX2KMT2ATRPV1

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-4315006-A Benzoxocin derivatives having anxiolytic and anti-convulsant activities GLAXO GROUP LIMITED (GB) 1982-02-09 US disclosed
EP-0024843-A1 3,4,5,6-Tetrahydro-2,6-methano-4 beta-amino-1-benzoxocin derivatives, process for their preparation and compositions containing them GLAXO GROUP LIMITED (GB) 1981-03-11 EP disclosed