SCHEMBL7034684

SCHEMBL7034684

CCOC(=O)C(C)(Cc1cc2cc(OC)c(OC)cc2s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.57
CNR2 P34972 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 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
SCHEMBL7029339 0.88 STING1 (0.51) STING1
SCHEMBL7033796 0.81 STING1 (0.45) STING1
SCHEMBL7032738 0.81 STING1 (0.45) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7027417 0.80 STING1 (0.50) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7028412 0.80 STING1 (0.47) STING1
SCHEMBL7029438 0.80 MMP8 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7032920 0.78 STING1 (0.40) STING1
SCHEMBL7028409 0.78 STING1 (0.45) STING1
SCHEMBL7033189 0.77 STING1 (0.48) STING1CNR2
SCHEMBL7032737 0.77 STING1 (0.47) STING1HDAC3HDAC4HDAC1HDAC7

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-1284265-A1 BENZOTHIOPHENE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-02-19 EP disclosed