SCHEMBL7854590

SCHEMBL7854590

CCOC(=O)C(Oc1ccccc1OCCc1ccccc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
PTGES O14684 5/20 0.46
ALOX5 P09917 5/20 0.46
PPARG P37231 4/20 0.46
ABCB1 P08183 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GLA P06280 1/20 0.42
MMP8 P22894 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL7861325 0.86 L3MBTL1 (0.57) TDP1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL7854550 0.85 PPARG (0.46) TDP1PTGESALOX5PPARGABCB1
SCHEMBL9204703 0.84 L3MBTL1 (0.54) TDP1LMNAL3MBTL1MAPTKDM4E
SCHEMBL8331880 0.79 SMN1; SMN2 (0.50) TDP1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL9199846 0.78 MMP8 (0.45) TDP1PPARGLMNAL3MBTL1SMN1; SMN2
SCHEMBL628126 0.77 KMT2A (0.53) TDP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL9205212 0.77 ALDH1A1 (0.50) TDP1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL9205464 0.77 L3MBTL1 (0.48) TDP1PPARGABCB1LMNAL3MBTL1
SCHEMBL8331884 0.77 SMN1; SMN2 (0.48) TDP1PTGESALOX5PPARGLMNA
SCHEMBL7323723 0.76 TDP1 (0.56) TDP1L3MBTL1KDM4EALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP disclosed
US-5407954-A Serotonin antagonism; treats depression, anxiety, hypertension and migraine headaches MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-18 US disclosed
EP-0625969-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1994-11-30 EP disclosed
WO-1993016051-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed
US-5216008-A Antidepressant, anxiolytic, hypotensive and also treats migraine headaches MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-01 US disclosed