SCHEMBL8037044

SCHEMBL8037044

C=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3F)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
MAOB P27338 2/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
SRC P12931 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ABL1 P00519 1/20 0.31
MIF P14174 1/20 0.30
PTPN1 P18031 1/20 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
SCHEMBL8037042 1.00 MAPT (0.33) MAPTMAOBGPBAR1CYSLTR2CYSLTR1
SCHEMBL8048935 0.91 APP (0.33) MAPT
SCHEMBL8036826 0.91 NPC1 (0.32) SRCCA12CA1CA9ABL1
SCHEMBL8048929 0.91 APP (0.33) MAPT
SCHEMBL8036831 0.91 NPC1 (0.32) SRCCA12CA1CA9ABL1
SCHEMBL8047420 0.90 CYSLTR2 (0.30) CYSLTR2CYSLTR1
SCHEMBL8047425 0.90 CYSLTR2 (0.30) CYSLTR2CYSLTR1
SCHEMBL8049099 0.90 SRC (0.35) SRCCA12CA1CA9ABL1
SCHEMBL8049095 0.90 SRC (0.35) SRCCA12CA1CA9ABL1
SCHEMBL8048570 0.90

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