SCHEMBL8053775

SCHEMBL8053775

C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)cnc3c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
HMOX1 P09601 3/20 0.32
MAOB P27338 3/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASR P41180 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
SCHEMBL8053770 1.00 PDE3B (0.34) PDE3BPDE3AP2RY12HMOX1MAOB
SCHEMBL8051732 0.89 CYP2D6 (0.36) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8051738 0.89 CYP2D6 (0.36) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8049176 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8049181 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8037150 0.88 MEN1 (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8037146 0.88 MEN1 (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8053720 0.87
SCHEMBL8053725 0.87
SCHEMBL8053985 0.86 HMOX1 (0.31) HMOX1SRCABL1

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