SCHEMBL7040571

SCHEMBL7040571

CCOC(=O)C(C)(C)c1ccc(C(O)CCC2OCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HRH1 P35367 3/20 0.39
DRD3 P35462 3/20 0.39
KCNH2 Q12809 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
BLM P54132 2/20 0.39
CNR1 P21554 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
DRD2 P14416 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.36
CNR2 P34972 7/20 0.36
USP2 O75604 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7040690 0.79 PIN1 (0.33) CNR2ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL24171768 0.79 CNR2 (0.41) LMNAHRH1DRD3KCNH2HTR2A
SCHEMBL7045044 0.78 RORC (0.38) LMNARORCCNR2ALDH1A1SMN1; SMN2
SCHEMBL10071706 0.74 GRIN2B (0.36) PDE4AALOX15USP2ALDH1A1MEN1
SCHEMBL10169477 0.73 LMNA (0.49) LMNAHTR2AALOX15RORCCNR2
SCHEMBL11365553 0.72 HRH1 (0.71) LMNAHRH1DRD3KCNH2HTR2A
Hydrochloric Acid SCHEMBL11378292 0.71 HRH1 (0.72) LMNAHRH1DRD3KCNH2HTR2A
SCHEMBL5999820 0.71 HRH1 (0.79) LMNAHRH1DRD3KCNH2HTR2A
SCHEMBL1968090 0.71 HRH1 (0.79) LMNAHRH1DRD3KCNH2HTR2A
SCHEMBL5999809 0.71 HRH1 (0.79) LMNAHRH1DRD3KCNH2HTR2A

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