SCHEMBL9786771

SCHEMBL9786771

CCOC(=O)CC1Cc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.36
▸ TTPA P49638 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
Raxofelast SCHEMBL633619 0.86 THRA (0.40) TTPAALOX5MEN1KMT2APDE4A
Raxofelast SCHEMBL633620 0.86 THRA (0.40) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9786760 0.85 MEN1 (0.36) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9201691 0.83 MEN1 (0.37) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9201685 0.83 MEN1 (0.37) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8599903 0.82 MEN1 (0.38) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9207302 0.81 TTPA (0.39) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9207314 0.81 TTPA (0.39) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9851204 0.81 MEN1 (0.37) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL10473653 0.80 MEN1 (0.36) TTPAALOX5MEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041568-A Production of (RS)-2-(2,3-dihydro-5-hydroxy-4,6,7-trimethylbenzofuranyl) acetic acid and related compounds BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1991-08-20 — — US disclosed
US-4999350-A PREVENTION OF TISSUE DAMAGE FROM FREE RADICALS AND OXIDIZING METABOLITES BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1991-03-12 — — US disclosed
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