SCHEMBL5815215

SCHEMBL5815215

COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(=NO)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.60
TUBB4A P04350 7/20 0.60
TUBB P07437 7/20 0.60
TUBA3C P0DPH7 7/20 0.60
TUBA1B P68363 7/20 0.60
TUBA4A P68366 7/20 0.60
TUBB4B P68371 7/20 0.60
TUBB3 Q13509 7/20 0.60
TUBB2A Q13885 7/20 0.60
TUBB8 Q3ZCM7 7/20 0.60
TUBA3E Q6PEY2 7/20 0.60
TUBA1A Q71U36 7/20 0.60
TUBA1C Q9BQE3 7/20 0.60
TUBB6 Q9BUF5 7/20 0.60
TUBB2B Q9BVA1 7/20 0.60
PAX8 Q06710 1/20 0.54
KDM4E B2RXH2 4/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL5840652 0.85 CCNB2 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5840646 0.85 CCNB2 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11014243 0.82 ATM (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5817386 0.82 TUBB1 (0.74) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5839385 0.77 PAX8 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5839375 0.77 PAX8 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Colchinol SCHEMBL29915223 0.75 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Flavanthridin SCHEMBL28245579 0.74 TUBB1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Ephemeranthol A SCHEMBL28598214 0.74 TUBB4A (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL353879 0.71 HTT (0.47) KDM4ECYP3A4ALDH1A1HSD17B10MEN1

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-2006067412-A1 CHEMICAL PROCESSES FOR THE PREPARATION OF A COLCHINOL DERIVATIVE AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed