SCHEMBL5058197

SCHEMBL5058197

Cc1ccc(-c2ccc(C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
KDM1A O60341 1/20 0.49
BACE1 P56817 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
NPBWR1 P48145 1/20 0.43
NFE2L2 Q16236 1/20 0.42
PTPN5 P54829 1/20 0.42
DHFR P00374 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
SCHEMBL30023096 0.89 KIF11 (0.58) KIF11BACE1PTGDR2PSEN1PSEN2
SCHEMBL27781322 0.89 KIF11 (0.58) KIF11BACE1PTGDR2PSEN1PSEN2
SCHEMBL5058200 0.83 AKR1C3 (0.46) MAPTNPC1CYP1A2CYP3A4CYP2C19
SCHEMBL16809158 0.82 ESR2 (0.55) KIF11BACE1PTGDR2MAPTNPBWR1
SCHEMBL10078969 0.82 NPBWR1 (0.47) KIF11KDM1APSEN1PSEN2APH1B
SCHEMBL18025753 0.80 KIF11 (0.52) KIF11BACE1PTGDR2MAPTNPBWR1
SCHEMBL9876442 0.79 ACHE (0.53) MAPTNPC1RAB9A
SCHEMBL15945791 0.79 KIF11 (0.52) KIF11KDM1ABACE1MAPTNPC1
SCHEMBL15945794 0.79 KIF11 (0.52) KIF11KDM1ABACE1MAPTNPC1
SCHEMBL5050344 0.79 PSEN1 (0.52) KIF11BACE1PTGDR2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157842-B1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORP (JP) 2008-10-08 EP disclosed
US-6629754-B1 Ink jet printer head manufacturing method thereof, and polycyclic thiol compounds SEIKO EPSON CORPORATION (JP) 2003-10-07 US disclosed
EP-1157842-A1 INK JET PRINTER HEAD AND PRODUCTION METHOD THEREOF, AND POLYCYCLIC THIOL COMPOUND SEIKO EPSON CORPORATION (JP) 2001-11-28 EP disclosed