SCHEMBL20177381

SCHEMBL20177381

CC[C@H](C=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.47
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
CA9 Q16790 1/20 0.41
TUBB1 Q9H4B7 4/20 0.40
ERN1 O75460 1/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40

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
SCHEMBL11376876 0.86 HTR2A (0.44) L3MBTL1PTGS2MAPK1ACHEMAPT
SCHEMBL10448890 0.83 L3MBTL1 (0.40) L3MBTL1PTGS2MAPK1ACHEMAPT
SCHEMBL5792086 0.80 GAA (0.49) L3MBTL1ACHEMAPT
SCHEMBL6715720 0.77 L3MBTL1 (0.48) L3MBTL1PTGS2MAPK1ACHEMAPT
SCHEMBL26090280 0.77 BCHE (0.38) ACHECYP3A4
SCHEMBL16865515 0.77 BCHE (0.38) ACHECYP3A4
SCHEMBL11963636 0.77 MAPT (0.47) L3MBTL1PTGS2MAPK1ACHEMAPT
SCHEMBL28134390 0.77 ACHE (0.45) L3MBTL1PTGS2ACHEMAPTCYP3A4
SCHEMBL2783924 0.77 MAPT (0.47) L3MBTL1PTGS2MAPK1ACHEMAPT
SCHEMBL11963646 0.77 MAPT (0.47) L3MBTL1PTGS2MAPK1ACHEMAPT

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-2018094195-A1 METHODS FOR DIRECTED FOLDING ASSEMBLY OR DIMERIZATION OF PROTEINS BY TEMPLATED ASSEMBLY REACTIONS TRIBIOTICA LLC (US) 2018-05-24 WO disclosed