SCHEMBL7136131

SCHEMBL7136131

C=CCOC(=O)c1ccccc1OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 1/20 0.59
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
LIG1 P18858 1/20 0.52
HCRTR1 O43613 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL174686 0.89 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7314986 0.88 ADRB2 (0.60) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL27540719 0.86 CYP3A4 (0.60) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7756816 0.84 CYP3A4 (0.72) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL11799975 0.84 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL536025 0.84 TSHR (0.71) CYP3A4ALDH1A1TSHRHSD17B10HCRTR1
SCHEMBL2407251 0.84 CYP3A4 (0.66) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL10538212 0.83 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
Ethane SCHEMBL28085459 0.82 CYP3A4 (0.92) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL12904274 0.82 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRHSD17B10ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916675-B1 Process for preparing sildenafil PFIZER LTD (GB) 2003-07-30 EP disclosed
US-6066735-A TREATMENT OF ERECTILE DYSFUNCTION PFIZER INC. (US) 2000-05-23 US disclosed
US-5955611-A CYCLIZATION OF DIAMIDEPYRAZOLE TO FORM PYRIMIDONE OF PYRAZOLE PFIZER INC. (US) 1999-09-21 US disclosed
EP-0812845-B1 Process for preparing sildenafil PFIZER LTD (GB) 1999-07-14 EP disclosed
EP-0916675-A2 Process for preparing sildenafil Pfizer Limited (GB) 1999-05-19 EP disclosed
EP-0812845-A1 Process for preparing sildenafil Pfizer Limited (GB) 1997-12-17 EP disclosed