SCHEMBL8045894

SCHEMBL8045894

C=CCOc1ccc2nc(C=CCCCC(C)O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
LTB4R Q15722 1/20 0.40
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8045892 1.00 PDE3B (0.41) PDE3BPDE3AP2RY12LTB4RHDAC8
SCHEMBL8049181 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8049176 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8054178 0.86 CYP2D6 (0.39) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8054185 0.86 CYP2D6 (0.39) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8048659 0.85 CA12 (0.40) PDE3BPDE3AP2RY12HDAC8HDAC1
SCHEMBL8048662 0.85 CA12 (0.40) PDE3BPDE3AP2RY12HDAC8HDAC1
SCHEMBL8054121 0.85 SRC (0.40) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8054124 0.85 SRC (0.40) PDE3BPDE3AP2RY12LTB4RMAPT
SCHEMBL8051440 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12MAPTNPSR1

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