SCHEMBL7160443

SCHEMBL7160443

CC1(C)OC[C@H](CC/C=C/C(=O)O)O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 5/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7162136 1.00 CA2 (0.39) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL23927697 0.84 CA2 (0.41) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL5973123 0.84 CA2 (0.41) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL23927695 0.84 CA2 (0.41) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL7156281 0.79 CA2 (0.38) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL7154235 0.79 CA2 (0.38) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL30732686 0.78 TBXA2R (0.35) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL4489089 0.77 CA2 (0.39) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL4489093 0.77 CA2 (0.39) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL4489086 0.77 CA2 (0.39) CA2TMEM97SIGMAR1TBXA2RTBXAS1

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-6541647-B2 Active materials; drugs; antiinflammatory agents; antiallergens MILLENNIUM PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6310221-B1 PREPARING A 4-FLUOROPHENOXYMETHYL-(HYDROXY)-TETRAHYDROFURAN BY REACTING 4-FLUOROPHENOL AND AN EPOXY COMPOUND; REACTING THE EPOXY-PHENYL ETHER WITH AN ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; AND REDUCING THE LACTONE MILLENNIUM PHARMACEUTICALS, INC. 2001-10-30 US disclosed
EP-1102759-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND Millennium Pharmaceuticals, Inc. (US) 2001-05-30 EP disclosed
WO-2000001683-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND LEUKOSITE, INC. (US) 2000-01-13 WO disclosed