SCHEMBL8043669

SCHEMBL8043669

CC(O)CCCC=Cc1ccc(-c2cnc3cc(O)ccc3n2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ESR2 Q92731 4/20 0.32
ESR1 P03372 3/20 0.32
TYR P14679 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
GRIN2B Q13224 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
SCHEMBL8043666 1.00 MAPK10 (0.40) MAPK10MEN1ALDH1A1MAPTALOX12
SCHEMBL8047039 0.87 MEN1 (0.38) MAPK10MEN1ALDH1A1MAPTALOX12
SCHEMBL8047035 0.87 MEN1 (0.38) MAPK10MEN1ALDH1A1MAPTALOX12
SCHEMBL8034967 0.87 ESR1 (0.38) MAPTESR2ESR1TYRPDE3B
SCHEMBL8034963 0.87 ESR1 (0.38) MAPTESR2ESR1TYRPDE3B
SCHEMBL8044445 0.86 PDE3B (0.34) TYRPDE3BPDE3AP2RY12
SCHEMBL8044442 0.86 PDE3B (0.34) TYRPDE3BPDE3AP2RY12
SCHEMBL8051599 0.85
SCHEMBL8051594 0.85
SCHEMBL8035098 0.85 MEN1 (0.38) MAPK10MEN1ALDH1A1MAPTALOX12

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