SCHEMBL18533005

SCHEMBL18533005

COc1cc2c(c(OC)c1O)CC[C@H](NC(C)=O)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.55
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TUBB4A P04350 5/20 0.51
TUBB P07437 5/20 0.51
TUBA3C P0DPH7 5/20 0.51
TUBA1B P68363 5/20 0.51
TUBA4A P68366 5/20 0.51
TUBB4B P68371 5/20 0.51
TUBB3 Q13509 5/20 0.51
TUBB2A Q13885 5/20 0.51
TUBB8 Q3ZCM7 5/20 0.51
TUBA3E Q6PEY2 5/20 0.51
TUBA1A Q71U36 5/20 0.51
TUBA1C Q9BQE3 5/20 0.51
TUBB6 Q9BUF5 5/20 0.51
TUBB2B Q9BVA1 5/20 0.51
PAX8 Q06710 1/20 0.50

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
SCHEMBL17304593 0.91 LMNA (0.55) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL17320123 0.87 TUBB1 (0.49) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL18532942 0.86 TUBB1 (0.57) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL17304591 0.78 PAX8 (0.58) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL17304592 0.78 PAX8 (0.53) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL17304604 0.77 PAX8 (0.59) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL17320124 0.77 PAX8 (0.52) TUBB1LMNAKDM4EPOLBMAPT
SCHEMBL18532941 0.77 TUBB1 (0.57) TUBB1LMNAKDM4ETUBB4ATUBB
SCHEMBL17320122 0.76 PAX8 (0.55) TUBB1LMNAKDM4ETUBB4ATUBB
SCHEMBL17304595 0.75 PAX8 (0.54) TUBB1LMNAKDM4EPOLBMAPT

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-9573873-B2 Catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis UNIVERSITY OF WINDSOR (CA) 2017-02-21 US disclosed