SCHEMBL8046549

SCHEMBL8046549

C=CCc1ccc(-c2ccc(-c3ncc(C=CCCCC(C)O)cn3)cc2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
ALOX5 P09917 2/20 0.32
RARB P10826 1/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
POLB P06746 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 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
SCHEMBL8046544 1.00 CNR2 (0.32) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL8047686 0.94 ALOX5AP (0.33) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL8047692 0.94 ALOX5AP (0.33) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL8047701 0.93 KDM4E (0.32) CNR2CNR1GABRA1GABRB2MEN1
SCHEMBL8047706 0.93 KDM4E (0.32) CNR2CNR1GABRA1GABRB2MEN1
SCHEMBL8047402 0.91 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL8047407 0.91 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL8047708 0.90 FEN1 (0.34) ALOX5APFEN1
SCHEMBL8047712 0.90 FEN1 (0.34) ALOX5APFEN1
SCHEMBL8049116 0.90 ALOX5 (0.35) CNR2CNR1GABRA1GABRB2ALOX5

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