SCHEMBL7040767

SCHEMBL7040767

CCOC(=O)C(C)(C)c1ccc(C(O)CC)c(C2OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
PDE2A O00408 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 2/20 0.33
PLG P00747 2/20 0.33
PRSS1 P07477 1/20 0.33
CACNA1B Q00975 1/20 0.33
RORC P51449 1/20 0.33
MAOB P27338 1/20 0.31

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
SCHEMBL7040568 0.76 CNR2 (0.33) CNR2MAPTMAPK1
SCHEMBL20826480 0.74 CNR2 (0.41) CNR2F2F10PLGPRSS1
SCHEMBL8484338 0.68 PIN1 (0.34) MAPTALOX15MAPK1HSD17B10
SCHEMBL10228098 0.68 CNR2 (0.51) CNR2MAPK1F2F10PLG
SCHEMBL7045044 0.66 RORC (0.38) CNR2MAPTF2F10PLG
SCHEMBL7154295 0.66 GAA (0.33) CNR2MAPTMAPK1
SCHEMBL20791050 0.65 ALDH1A1 (0.37) CNR2MAPT
SCHEMBL6279399 0.64 CNR2 (0.58) CNR2MAPTF2F10PLG
SCHEMBL22992388 0.64 CNR2 (0.48) CNR2MAPTHSD17B10F2F10
SCHEMBL25174839 0.64 CNR2 (0.48) CNR2MAPK1F2F10PLG

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
EP-0956286-B1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR INC (US) 2003-04-02 EP disclosed
US-6147217-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 2000-11-14 US disclosed
EP-0956286-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1999-11-17 EP disclosed
WO-1998033789-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1998-08-06 WO disclosed