SCHEMBL8036348

SCHEMBL8036348

CCCCCOC(C)CCCC=Cc1ncc(-c2ccc(O)cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
USP7 Q93009 1/20 0.33
RARB P10826 1/20 0.32
CNR2 P34972 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.31
PTGS2 P35354 1/20 0.31
NR5A1 Q13285 1/20 0.31
CNR1 P21554 1/20 0.31
ESR1 P03372 5/20 0.30
ESR2 Q92731 1/20 0.30
FGFR1 P11362 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
SCHEMBL8036347 1.00 ALOX5AP (0.34) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8054037 0.95 RARB (0.35) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8054033 0.95 RARB (0.35) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8051904 0.91 USP7 (0.35) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8051899 0.91 USP7 (0.35) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8046609 0.90 ABCG2 (0.35) ALOX5APFEN1USP7RARBNPC1
SCHEMBL8046603 0.90 ABCG2 (0.35) ALOX5APFEN1USP7RARBNPC1
SCHEMBL8046991 0.89 RARB (0.34) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8046995 0.89 RARB (0.34) ALOX5APFEN1USP7RARBCNR2
SCHEMBL8054193 0.89 ESR1 (0.34) ALOX5APFEN1USP7RARBESR1

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