SCHEMBL9260747

SCHEMBL9260747

COc1ccc(OCCCOCCl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
HPGD P15428 7/20 0.49
L3MBTL1 Q9Y468 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
S1PR4 O95977 1/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
PPARA Q07869 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.42
PIK3CD O00329 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL11351353 0.88 MAPT (0.53) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL9217899 0.87 MAPT (0.54) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL8358492 0.85 MAPT (0.53) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL8903264 0.85 MAPT (0.60) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL8358491 0.83 MAPT (0.50) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL11348370 0.81 S1PR4 (0.51) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL8536866 0.81 MAPT (0.51) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL11565117 0.81 MAPT (0.51) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL11034225 0.79 MAPT (0.54) MAPTHPGDL3MBTL1TDP1S1PR4
SCHEMBL11433262 0.79 MAPT (0.54) MAPTHPGDL3MBTL1TDP1S1PR4

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
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
US-5378694-A Herpes viricide, hypotensive agent SCHERING CORPORATION (US) 1995-01-03 US disclosed
EP-0550464-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1993-07-14 EP disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004328-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed