SCHEMBL8047236

SCHEMBL8047236

CCCCCOC(C)CCCC=Cc1ccc2cc(-c3ccc(O)c(F)c3F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.34
MAOB P27338 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MCL1 Q07820 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL8047227 1.00 APP (0.34) APPMAOBGABRA1GABRB2MCL1
SCHEMBL8036608 0.91 TNNC1 (0.36) APPMAOBGABRA1GABRB2CNR2
SCHEMBL8036602 0.91 TNNC1 (0.36) APPMAOBGABRA1GABRB2CNR2
SCHEMBL8045986 0.90 TNNC1 (0.35) APPMAOBGABRA1GABRB2CNR2
SCHEMBL8045988 0.90 TNNC1 (0.35) APPMAOBGABRA1GABRB2CNR2
SCHEMBL8036658 0.89 ESR1 (0.38) APP
SCHEMBL8036650 0.89 ESR1 (0.38) APP
SCHEMBL8037030 0.88 ESR1 (0.44) MAOBAKR1C3AKR1C2
SCHEMBL8037034 0.88 ESR1 (0.44) MAOBAKR1C3AKR1C2
SCHEMBL8036694 0.88 APP (0.32) APPCNR2

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