SCHEMBL3963438

SCHEMBL3963438

C=C(C)OC(=O)c1ccc(OC(=C)C)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
XDH P47989 1/20 0.42
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39

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
SCHEMBL3960997 0.87 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL3965774 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5450979 0.76 TDP1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL15495900 0.76 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL10791915 0.74 KDM4E (0.41) CA12CA1CA2CA7CA9
SCHEMBL3960362 0.74 SMN1; SMN2 (0.52) MAPTKDM4EHDAC6RAB9A
SCHEMBL15496057 0.73 ELANE (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9008922 0.73 TDP1 (0.41) MAPTPOLBALDH1A1TSHRRAB9A
SCHEMBL8814440 0.73 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8957224 0.71 SMN1; SMN2 (0.46) CA12CA1CA2CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed