SCHEMBL8054655

SCHEMBL8054655

C=CCOc1ccc(-c2cnc(-c3ccc(C=CCCCC(C)O)cc3)nc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
CYP2D6 P10635 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
SCN5A Q14524 1/20 0.30

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
SCHEMBL8054652 1.00 MAOB (0.33) MAOBNPC1TP53RAB9ASRC
SCHEMBL8046188 0.94 FEN1 (0.34) MAOBNPC1TP53RAB9ASRC
SCHEMBL8046195 0.94 FEN1 (0.34) MAOBNPC1TP53RAB9ASRC
SCHEMBL8048438 0.94 MEN1 (0.34) MAOBNPC1TP53RAB9ASRC
SCHEMBL8048440 0.94 MEN1 (0.34) MAOBNPC1TP53RAB9ASRC
SCHEMBL8049235 0.94 NPC1 (0.33) MAOBNPC1TP53RAB9ASRC
SCHEMBL8049228 0.94 NPC1 (0.33) MAOBNPC1TP53RAB9ASRC
SCHEMBL8047617 0.92 NPC1 (0.37) MAOBNPC1TP53RAB9ASRC
SCHEMBL8047621 0.92 NPC1 (0.37) MAOBNPC1TP53RAB9ASRC
SCHEMBL8036581 0.91 NPC1 (0.33) MAOBNPC1TP53RAB9ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed