SCHEMBL7861325

SCHEMBL7861325

CCOC(=O)C(Oc1ccccc1OCc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
MRGPRX4 Q96LA9 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
RXRA P19793 2/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
BRD4 O60885 1/20 0.48
ATM Q13315 1/20 0.47
LIPE Q05469 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGER1 P34995 1/20 0.46
NPC1 O15118 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
SCHEMBL9204703 0.86 L3MBTL1 (0.54) L3MBTL1LMNAMRGPRX4TDP1MAPT
SCHEMBL7854590 0.86 TDP1 (0.47) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL7864368 0.85 L3MBTL1 (0.53) L3MBTL1LMNAMRGPRX4TDP1MAPT
SCHEMBL7860020 0.85 L3MBTL1 (0.53) L3MBTL1LMNAMRGPRX4TDP1MAPT
SCHEMBL7861410 0.80 L3MBTL1 (0.49) L3MBTL1LMNAMRGPRX4TDP1MAPT
SCHEMBL628126 0.80 KMT2A (0.53) LMNATDP1MAPTKDM4ENPC1
SCHEMBL9205212 0.80 ALDH1A1 (0.50) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL9199846 0.78 MMP8 (0.45) L3MBTL1LMNATDP1MAPTKDM4E
SCHEMBL7323723 0.78 TDP1 (0.56) L3MBTL1TDP1ATMKDM4EALDH1A1
SCHEMBL8329550 0.78 L3MBTL1 (0.54) L3MBTL1LMNATDP1MAPTMAPK1

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