SCHEMBL8047264

SCHEMBL8047264

CC(O)CCC/C=C/c1cc2ccc(O)cc2cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.35
LTB4R Q15722 1/20 0.33
FTO Q9C0B1 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MAPT P10636 1/20 0.31
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR1D P28221 1/20 0.30
HTR7 P34969 1/20 0.30
HTR4 Q13639 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
SCHEMBL8047266 1.00 TYR (0.35) TYRLTB4RFTOPDE3BPDE3A
SCHEMBL8052985 0.87 FTO (0.43) TYRLTB4RFTO
SCHEMBL8052981 0.87 FTO (0.43) TYRLTB4RFTO
SCHEMBL8047193 0.83 HDAC1 (0.40) TYRLTB4R
SCHEMBL8047191 0.83 HDAC1 (0.40) TYRLTB4R
SCHEMBL8054178 0.82 CYP2D6 (0.39) LTB4RPDE3BPDE3AP2RY12MAPT
SCHEMBL8047401 0.82 ALDH1A1 (0.36) LTB4RMAPT
SCHEMBL8054185 0.82 CYP2D6 (0.39) LTB4RPDE3BPDE3AP2RY12MAPT
SCHEMBL8047398 0.82 ALDH1A1 (0.36) LTB4RMAPT
SCHEMBL8047582 0.82 NR5A1 (0.36) LTB4R

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