SCHEMBL8044705

SCHEMBL8044705

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)cc3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
MAPK1 P28482 5/20 0.35
RIPK1 Q13546 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
ESRRB O95718 2/20 0.34
ESRRA P11474 2/20 0.34
PIK3CA P42336 4/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
APP P05067 5/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8044701 1.00 BCHE (0.43) BCHEMAPK1RIPK1ESR1ESR2
SCHEMBL8052443 0.94 BCHE (0.40) BCHEMAPK1RIPK1ESR1ESR2
SCHEMBL8052448 0.94 BCHE (0.40) BCHEMAPK1RIPK1ESR1ESR2
SCHEMBL8047337 0.87 ESR2 (0.39) MAPK1ESR1ESR2APP
SCHEMBL8047339 0.87 ESR2 (0.39) MAPK1ESR1ESR2APP
SCHEMBL8046300 0.87 APP (0.31) BCHEAPPTLR9KDM4ENPC1
SCHEMBL8046305 0.87 APP (0.31) BCHEAPPTLR9KDM4ENPC1
SCHEMBL8048532 0.85 MAPT (0.38) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8048526 0.85 MAPT (0.38) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8035098 0.85 MEN1 (0.38) ESR1ESR2MAPK10ALDH1A1MAPT

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