SCHEMBL8036561

SCHEMBL8036561

C=CCOc1ccc(-c2ccc(-c3cnc(C=CCCCC(C)O)nc3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
SRC P12931 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
MAOB P27338 2/20 0.32
CYP2D6 P10635 1/20 0.31
MGAM O43451 3/20 0.31
GAA P10253 3/20 0.31
SI P14410 3/20 0.31
MGAM2 Q2M2H8 3/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
ALDH2 P05091 1/20 0.31
MAOA P21397 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
SCHEMBL8036550 1.00 ALOX5AP (0.35) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8047716 0.95 MEN1 (0.35) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8047713 0.95 MEN1 (0.35) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8046598 0.91 MEN1 (0.33) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8046589 0.91 MEN1 (0.33) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8037150 0.90 MEN1 (0.35) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8037146 0.90 MEN1 (0.35) ALOX5APFEN1SRCMEN1LMNA
SCHEMBL8054195 0.89 NPC1 (0.37) SRCMEN1LMNAMAPTKMT2A
SCHEMBL8054199 0.89 NPC1 (0.37) SRCMEN1LMNAMAPTKMT2A
SCHEMBL8049235 0.89 NPC1 (0.33) ALOX5APFEN1SRCMEN1LMNA

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