SCHEMBL8046446

SCHEMBL8046446

C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)ncc3c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HMOX1 P09601 3/20 0.35
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
MAOB P27338 3/20 0.32
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
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
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
SCHEMBL8046439 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12HMOX1SRC
SCHEMBL8051435 0.89 PDE3B (0.43) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8051440 0.89 PDE3B (0.43) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8036944 0.89 PDE3B (0.40) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8036948 0.89 PDE3B (0.40) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8047716 0.88 MEN1 (0.35) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8047713 0.88 MEN1 (0.35) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8036550 0.87 ALOX5AP (0.35) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8036561 0.87 ALOX5AP (0.35) PDE3BPDE3AP2RY12SRCABL1
SCHEMBL8047545 0.86 HMOX1 (0.34) 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