SCHEMBL28170407

SCHEMBL28170407

COc1ccc(OOc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.76
CA12 O43570 2/20 0.76
CA1 P00915 2/20 0.76
CA7 P43166 2/20 0.76
CA9 Q16790 2/20 0.76
CA14 Q9ULX7 2/20 0.76
ACHE P22303 1/20 0.54
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52

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
1,2,4-Trimethoxybenzene SCHEMBL481491 0.86 CA12 (1.00) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.86 CA12 (1.00) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.86 CA12 (1.00) CA2CA12CA1CA7CA9
SCHEMBL10462284 0.86 CA2 (0.64) CA2CA12CA1CA7CA9
SCHEMBL126301 0.84 CA2 (0.76) CA2CA12CA1CA7CA9
SCHEMBL2096158 0.80 CA2 (0.70) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27740813 0.80 CA12 (0.86) CA2CA12CA1CA7CA9
SCHEMBL27887830 0.80 CA2 (0.70) CA2CA12CA1CA7CA9
SCHEMBL8946309 0.80 CA2 (0.70) CA2CA12CA1CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27582647 0.80 CA2 (0.86) CA2CA12CA1CA7CA9

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
CN-107073052-A Solubilized enzyme and use thereof 希乐克公司 2017-08-18 CN disclosed