SCHEMBL8047100

SCHEMBL8047100

C=CCOc1ccc(-c2cnc(/C=C/CCCC(C)OCCCCC)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP2D6 P10635 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PLA2G2A P14555 1/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8047393 1.00 RARB (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8047102 1.00 RARB (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8047387 1.00 RARB (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8050901 0.91 CYP3A4 (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8051190 0.91 CYP3A4 (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8051184 0.91 CYP3A4 (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8050905 0.91 CYP3A4 (0.35) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8046470 0.90 NPC1 (0.40) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8046466 0.90 NPC1 (0.40) RARBKDM4ECYP2D6NPC1RAB9A
SCHEMBL8047406 0.90 S1PR1 (0.33) RARBABL1SRC

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