SCHEMBL8046006

SCHEMBL8046006

C=CCOc1ccc2cc(C=CCCCC(C)O)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
SCN9A Q15858 3/20 0.31
HDAC1 Q13547 1/20 0.31
ATM Q13315 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LTB4R Q15722 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
SCHEMBL8045999 1.00 PDE3B (0.34) PDE3BPDE3AP2RY12SCN9AHDAC1
SCHEMBL8046085 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12ATMMAPT
SCHEMBL8046091 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12ATMMAPT
SCHEMBL8046822 0.85 HDAC1 (0.33) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8046828 0.85 HDAC1 (0.33) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8048662 0.84 CA12 (0.40) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8048659 0.84 CA12 (0.40) PDE3BPDE3AP2RY12HDAC1HDAC8
SCHEMBL8048959 0.84 PDE3B (0.34) PDE3BPDE3AP2RY12ATM
SCHEMBL8048953 0.84 PDE3B (0.34) PDE3BPDE3AP2RY12ATM
SCHEMBL8046326 0.84 MAPT (0.42) PDE3BPDE3AP2RY12MAPT

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