SCHEMBL5840646

SCHEMBL5840646

COc1cc2c(cc1O)/C(=N\O)CCc1cc(OC)c(OC)c(OC)c1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
PTGS2 P35354 1/20 0.46
TUBB1 Q9H4B7 5/20 0.46
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46
TUBA1C Q9BQE3 4/20 0.46
TUBB6 Q9BUF5 4/20 0.46
TUBB2B Q9BVA1 4/20 0.46

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 1.00 CCNB2 (0.51) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL5815215 0.85 TUBB1 (0.60) CCNB2CDK1CCNB1CCNB3TUBB1
SCHEMBL28950285 0.82 PTGS2 (0.66) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL30140493 0.82 PTGS2 (0.66) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL5839385 0.82 PAX8 (0.44) CCNB2CDK1CCNB1CCNB3TUBB1
SCHEMBL5839375 0.82 PAX8 (0.44) CCNB2CDK1CCNB1CCNB3TUBB1
SCHEMBL11014243 0.82 ATM (0.51) CCNB2CDK1CCNB1CCNB3TUBB1
SCHEMBL5840734 0.82 TUBB1 (0.66) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL9273100 0.75 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL353879 0.74 HTT (0.47) PTGS2KDM4ECYP3A4MEN1KMT2A

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-7135502-B1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. (GB) 2006-11-14 US disclosed
EP-1140745-B1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARM LTD (GB) 2003-10-22 EP disclosed