SCHEMBL8047716

SCHEMBL8047716

C=CCOc1ccc(-c2cnc(C=CCCCC(C)O)nc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL8047713 1.00 MEN1 (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8036550 0.95 ALOX5AP (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8036561 0.95 ALOX5AP (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8037150 0.90 MEN1 (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8037146 0.90 MEN1 (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8054655 0.89 MAOB (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8054652 0.89 MAOB (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8046598 0.88 MEN1 (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8046589 0.88 MEN1 (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8046446 0.88 PDE3B (0.38) MEN1LMNAMAPTKMT2ASMN1; SMN2

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