SCHEMBL7861235

SCHEMBL7861235

CCOC(=O)C(Cc1ccccc1)(Oc1ccccc1OCc1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
MMP8 P22894 1/20 0.48
RXRA P19793 3/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRB P23467 1/20 0.43
ACP1 P24666 1/20 0.43

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
SCHEMBL7860078 0.88 ALDH1A1 (0.47) ALDH1A1RECQLMMP8L3MBTL1MAPT
SCHEMBL7854387 0.85 ALDH1A1 (0.45) ALDH1A1RXRARXRBRXRGMRGPRX4
SCHEMBL9206341 0.83 KMT2A (0.48) ALDH1A1RECQLMMP8L3MBTL1MAPT
SCHEMBL9199837 0.83 ALDH1A1 (0.47) ALDH1A1RECQLMMP8HTR1AL3MBTL1
SCHEMBL6713228 0.82 PPARG (0.53) ALDH1A1RECQLMMP8L3MBTL1MAPT
SCHEMBL7861313 0.81 KDM4E (0.45) ALDH1A1MRGPRX4L3MBTL1ATMKDM4E
SCHEMBL7860005 0.81 ABCB1 (0.51) RXRARXRBRXRGHTR1AADRA1D
SCHEMBL7861112 0.80 ATM (0.45) ALDH1A1RXRARXRBRXRGMRGPRX4
SCHEMBL9544537 0.80 SLC6A4 (0.41) ALDH1A1MRGPRX4PTPN1LMNAATM
SCHEMBL16865453 0.77 ALDH1A1 (0.57) ALDH1A1RECQLMMP8L3MBTL1MAPT

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