SCHEMBL8046068

SCHEMBL8046068

CCCCCOC(C)CCCC=Cc1ccc(-c2cnc3cc(O)ccc3n2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK10 P53779 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 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
SCHEMBL8046062 1.00 MEN1 (0.33) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8051521 0.97 MEN1 (0.33) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8051526 0.97 MEN1 (0.33) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8048368 0.90 ALDH1A1 (0.35) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8048374 0.90 ALDH1A1 (0.35) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL8048385 0.88 ESR1 (0.31)
SCHEMBL8048381 0.88 ESR1 (0.31)
SCHEMBL8054635 0.88 APP (0.32)
SCHEMBL8054637 0.88 APP (0.32)
SCHEMBL8046273 0.87 CNR2 (0.32)

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