SCHEMBL8049771

SCHEMBL8049771

CC(O)CCC/C=C/c1ccc2cc(-c3ccc(O)c(F)c3F)ncc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL8049773 1.00 NPC1 (0.33) NPC1RAB9AHDAC1HDAC8L3MBTL1
SCHEMBL8036044 0.87 FEN1 (0.32)
SCHEMBL8036046 0.87 FEN1 (0.32)
SCHEMBL8052899 0.86 NPC1 (0.37) NPC1RAB9AHDAC1HDAC8L3MBTL1
SCHEMBL8052906 0.86 NPC1 (0.37) NPC1RAB9AHDAC1HDAC8L3MBTL1
SCHEMBL8036470 0.86 NPC1 (0.30) NPC1RAB9A
SCHEMBL8036464 0.86 NPC1 (0.30) NPC1RAB9A
SCHEMBL8036700 0.86 APP (0.32) NPC1RAB9A
SCHEMBL8036694 0.86 APP (0.32) NPC1RAB9A
SCHEMBL8052943 0.85 MAPT (0.33) PDE3BPDE3AP2RY12

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