SCHEMBL8047706

SCHEMBL8047706

C=CCc1ccc(-c2ncc(C=CCCCC(C)O)cn2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ALDH2 P05091 1/20 0.32
GABRA1 P14867 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
GABRB2 P47870 1/20 0.32
PPARD Q03181 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TNKS O95271 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
SCHEMBL8047701 1.00 KDM4E (0.32) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8046549 0.93 CNR2 (0.32) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8046544 0.93 CNR2 (0.32) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8047395 0.92 CNR2 (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8047400 0.92 CNR2 (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8053918 0.91
SCHEMBL8053915 0.91
SCHEMBL8047692 0.89 ALOX5AP (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8047686 0.89 ALOX5AP (0.33) CNR1CNR2GABRA1GABRB2
SCHEMBL8046239 0.88 ALOX5AP (0.32) CNR1CNR2GABRA1GABRB2

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