SCHEMBL8047491

SCHEMBL8047491

CC(O)CCC/C=C/c1ccc(-c2ccc3nc(O)ncc3c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALOX5AP P20292 13/20 0.33
FEN1 P39748 12/20 0.33
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK14 Q16539 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL8047498 1.00 AKR1C3 (0.34) AKR1C3AKR1C2PDE3BPDE3AP2RY12
SCHEMBL8052749 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8052754 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8049231 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8049236 0.88 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8047164 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12
SCHEMBL8047160 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12
SCHEMBL8036720 0.86 AKR1C3 (0.32) AKR1C3AKR1C2PDE3BPDE3AP2RY12
SCHEMBL8036726 0.86 AKR1C3 (0.32) AKR1C3AKR1C2PDE3BPDE3AP2RY12
SCHEMBL8035369 0.86 PDE3B (0.36) PDE3BPDE3AP2RY12

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