SCHEMBL8887535

SCHEMBL8887535

CC1([C@@H]2CC[C@](C)(O)[C@H](O)C2)Cc2c(O)ccc(C=O)c2O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 1/20 0.36
FUT6 P51993 1/20 0.36
FUT5 Q11128 1/20 0.36
ST3GAL1 Q11201 1/20 0.36
ST3GAL3 Q11203 1/20 0.36
IDO1 P14902 2/20 0.33
CYP19A1 P11511 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
SCHEMBL8889029 0.86 CETP (0.33)
SCHEMBL8888644 0.83 CYP3A4 (0.31)
SCHEMBL8887766 0.75 IDO1 (0.32) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL3609698 0.71 PIK3CD (0.35) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL8888853 0.69 CETP (0.33)
SCHEMBL9319161 0.66 MTNR1A (0.35)
SCHEMBL8890725 0.66 MTNR1A (0.35)
SCHEMBL8887291 0.60 ALDH1A1 (0.32)
SCHEMBL4230579 0.56 ALDH1A1 (0.47)
SCHEMBL4241344 0.56 ALDH1A1 (0.37)

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