SCHEMBL8047590

SCHEMBL8047590

C=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3)cnc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
APP P05067 4/20 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
SCHEMBL8047596 1.00 CNR2 (0.34) CNR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8054319 0.90 KDM4E (0.37) CNR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8054323 0.90 KDM4E (0.37) CNR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8048572 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL8048565 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL8046036 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL8046041 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL8051480 0.89 RAB9A (0.36) CNR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8051483 0.89 RAB9A (0.36) CNR2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8051054 0.88 CNR2 (0.34) CNR2CNR1

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