SCHEMBL12810214

SCHEMBL12810214

COc1cc(/C=C\c2ccc(C)c(O)c2)cc(CO)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 11/20 0.52
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP8 P22894 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ TUBB4A P04350 2/20 0.49
▸ TUBB P07437 2/20 0.49
▸ TUBA3C P0DPH7 2/20 0.49
▸ TUBA1B P68363 2/20 0.49
▸ TUBA4A P68366 2/20 0.49
▸ TUBB4B P68371 2/20 0.49
▸ TUBB3 Q13509 2/20 0.49
▸ TUBB2A Q13885 2/20 0.49
▸ TUBB8 Q3ZCM7 2/20 0.49
▸ TUBA3E Q6PEY2 2/20 0.49
▸ TUBA1A Q71U36 2/20 0.49
▸ TUBA1C Q9BQE3 2/20 0.49
▸ TUBB6 Q9BUF5 2/20 0.49
▸ TUBB2B Q9BVA1 2/20 0.49
▸ SLC22A2 O15244 1/20 0.49

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
SCHEMBL10030788 0.89 TUBB1 (0.64) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL17145738 0.89 MMP2 (0.54) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL786868 0.89 TUBB1 (0.52) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL12774233 0.86 TUBB1 (0.50) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL12774239 0.86 TUBB1 (0.63) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL13079742 0.84 TUBB1 (0.65) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL17145749 0.83 MAPT (0.55) MMP2MMP9MMP8NFKB1ABCB1
SCHEMBL17145742 0.83 TUBB1 (0.50) TUBB1MMP2MMP9MMP8NFKB1
SCHEMBL10136222 0.83 APP (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17145762 0.82 TUBB1 (0.49) TUBB1MMP2MMP9MMP8NFKB1

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
EP-2025661-B1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2011-03-16 — — EP disclosed
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