SCHEMBL8047346

SCHEMBL8047346

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)c(F)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.40
ESR2 Q92731 10/20 0.40
MAPT P10636 6/20 0.36
MAOB P27338 2/20 0.36
MIF P14174 2/20 0.34

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
SCHEMBL8047344 1.00 ESR1 (0.40) ESR1ESR2MAPTMAOBMIF
SCHEMBL8046238 0.87 ESR1 (0.49) ESR1ESR2MAPTMAOB
SCHEMBL8046231 0.87 ESR1 (0.49) ESR1ESR2MAPTMAOB
SCHEMBL8047337 0.87 ESR2 (0.39) ESR1ESR2MAOB
SCHEMBL8047339 0.87 ESR2 (0.39) ESR1ESR2MAOB
SCHEMBL8036737 0.87 MAPT (0.34) ESR1ESR2MAPTMAOB
SCHEMBL8036743 0.87 MAPT (0.34) ESR1ESR2MAPTMAOB
SCHEMBL8049904 0.86 ESR1 (0.46) ESR1ESR2
SCHEMBL8049898 0.86 ESR1 (0.46) ESR1ESR2
SCHEMBL8046110 0.85 CYP11B1 (0.40) ESR1ESR2

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