SCHEMBL8048827

SCHEMBL8048827

C=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)nc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 7/20 0.33
GABRB2 P47870 7/20 0.33
ALOX5 P09917 4/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
POLB P06746 1/20 0.31
GABRB1 P18505 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
SCHEMBL8048829 1.00 MEN1 (0.34) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8054220 0.97 CYP3A4 (0.34) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8054218 0.97 CYP3A4 (0.34) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8051236 0.90 ALOX5AP (0.33) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8051232 0.90 ALOX5AP (0.33) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8053948 0.89 ALOX5AP (0.34) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8053952 0.89 ALOX5AP (0.34) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8047686 0.88 ALOX5AP (0.33) CNR2CNR1GABRA1GABRB2ALOX5
SCHEMBL8047603 0.88 SMN1; SMN2 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2CNR2
SCHEMBL8047692 0.88 ALOX5AP (0.33) CNR2CNR1GABRA1GABRB2ALOX5

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