SCHEMBL8047339

SCHEMBL8047339

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)c(F)c3)cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.39
ESR1 P03372 10/20 0.39
MAPK1 P28482 1/20 0.36
JAK1 P23458 1/20 0.32
MAOB P27338 2/20 0.31
APP P05067 4/20 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
SCHEMBL8047337 1.00 ESR2 (0.39) ESR2ESR1MAPK1JAK1MAOB
SCHEMBL8047344 0.87 ESR1 (0.40) ESR2ESR1MAOB
SCHEMBL8047346 0.87 ESR1 (0.40) ESR2ESR1MAOB
SCHEMBL8044705 0.87 BCHE (0.43) ESR2ESR1MAPK1APP
SCHEMBL8044701 0.87 BCHE (0.43) ESR2ESR1MAPK1APP
SCHEMBL8054050 0.86 KIT (0.31) ESR2ESR1
SCHEMBL8054046 0.86 KIT (0.31) ESR2ESR1
SCHEMBL8044090 0.85 ESR1 (0.32) ESR2ESR1
SCHEMBL8044087 0.85 ESR1 (0.32) ESR2ESR1
SCHEMBL8048934 0.85 ESR1 (0.35) ESR2ESR1MAPK1APP

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