SCHEMBL8887291

SCHEMBL8887291

COc1ccc(C=O)c2c1CC(C)([C@H]1CC=C(C)CC1)O2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 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
SCHEMBL8887766 0.85 IDO1 (0.32)
SCHEMBL8890048 0.83 MAPT (0.35) ALDH1A1CYP3A4MAPTCETP
SCHEMBL8891507 0.80 CDC25B (0.37) ALDH1A1MAPTCETP
SCHEMBL8889029 0.75 CETP (0.33) CETP
SCHEMBL3598687 0.74 FFAR4 (0.40) ALDH1A1MAPT
SCHEMBL5723233 0.70 PDE4A (0.43) ALDH1A1MAPTCETP
SCHEMBL8888634 0.68 MAPT (0.34) MAPT
SCHEMBL8889142 0.67 CA12 (0.36) ALDH1A1MAPT
SCHEMBL6607683 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5722906 0.64 FFAR4 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656659-A SUBSTITUTED DIHYDROBENZOFURAN COMPOUNDS T CELL SCIENCES, INC. (US) 1997-08-12 US disclosed
US-5401767-A Compounds which inhibit complement and/or suppress immune activity T CELL SCIENCES, INC. (US) 1995-03-28 US disclosed
US-5366986-A SPIROBENZOFURAN-2(3H)-CYCLOALKANE COMPOUNDS T CELL SCIENCES, INC. (US) 1994-11-22 US disclosed
US-5173499-A 4-Methoxyspiro(benzofuran-2,1'-cyclohexane)-7-N-methyl-carboxamides and derivatives; autoimmune diseases; antiischemic agents; respiratory system disorders T CELL SCIENCES, INC. (US) 1992-12-22 US disclosed