SCHEMBL11260258

SCHEMBL11260258

CC12CC(NC(=O)CN)CC(C1)c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 9/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL11260254 1.00 SMYD3 (0.36) SMYD3KMT2AKDM4ETRPV1EPHX2
Hydrochloric Acid SCHEMBL11274027 0.99 SMYD3 (0.35) SMYD3KMT2AKDM4ETRPV1EPHX2
Hydrochloric Acid SCHEMBL11274019 0.99 SMYD3 (0.35) SMYD3KMT2AKDM4ETRPV1EPHX2
Hydrochloric Acid SCHEMBL11270996 0.92 TRPV1 (0.33) SMYD3KMT2AKDM4ETRPV1EPHX2
SCHEMBL11271812 0.88 TRPV1 (0.36) SMYD3KMT2AKDM4ETRPV1EPHX2
SCHEMBL11271808 0.88 TRPV1 (0.36) SMYD3KMT2AKDM4ETRPV1EPHX2
SCHEMBL11267573 0.85 EPHX2 (0.39) KMT2ATRPV1EPHX2
SCHEMBL11264043 0.85 EPHX2 (0.39) KMT2ATRPV1EPHX2
Hydrochloric Acid SCHEMBL11264129 0.82 XIAP (0.40) KMT2ATRPV1EPHX2
Hydrochloric Acid SCHEMBL11264132 0.82 XIAP (0.40) KMT2ATRPV1EPHX2

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 claimed
US-4315006-A Benzoxocin derivatives having anxiolytic and anti-convulsant activities GLAXO GROUP LIMITED (GB) 1982-02-09 US disclosed