SCHEMBL8048183

SCHEMBL8048183

C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)OCCCCC)ncc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
BRAF P15056 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
RARB P10826 3/20 0.30
CASR P41180 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
SCHEMBL8048181 1.00 SRC (0.33) SRCABL1BRAFCHRNB2CHRNB4
SCHEMBL8037290 0.94 GPBAR1 (0.32) SRCABL1CHRNB2CHRNB4CHRNA3
SCHEMBL8037296 0.94 GPBAR1 (0.32) SRCABL1CHRNB2CHRNB4CHRNA3
SCHEMBL8047545 0.90 HMOX1 (0.34) SRCABL1
SCHEMBL8047541 0.90 HMOX1 (0.34) SRCABL1
SCHEMBL8048087 0.89 CNR2 (0.35) BRAF
SCHEMBL8048090 0.89 CNR2 (0.35) BRAF
SCHEMBL8036762 0.89 THRA (0.30)
SCHEMBL8036767 0.89 THRA (0.30)
SCHEMBL8047100 0.88 RARB (0.35) SRCABL1CHRNB2CHRNB4CHRNA3

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