SCHEMBL8046069

SCHEMBL8046069

C=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)O)c(F)c3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
MAOB P27338 2/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ALOX5 P09917 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
SCHEMBL8046073 1.00 MAPT (0.34) MAPTMAOBESR1ESR2ALOX5
SCHEMBL8048169 0.89 ALOX5 (0.33) MAPTESR1ESR2ALOX5
SCHEMBL8048175 0.89 ALOX5 (0.33) MAPTESR1ESR2ALOX5
SCHEMBL8046433 0.88 NPC1 (0.31)
SCHEMBL8046429 0.88 NPC1 (0.31)
SCHEMBL8036782 0.87 MAPT (0.36) MAPTMAOBESR1ESR2ALOX5
SCHEMBL8036779 0.87 MAPT (0.36) MAPTMAOBESR1ESR2ALOX5
SCHEMBL8046606 0.87 ESR1 (0.31) ESR1ESR2ALOX5
SCHEMBL8046613 0.87 ESR1 (0.31) ESR1ESR2ALOX5
SCHEMBL8047733 0.87 NPC1 (0.36) MAPT

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