SCHEMBL7206547

SCHEMBL7206547

CCCCCC=CC(F)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 1/20 0.47
SPHK2 Q9NRA0 4/20 0.44
SPHK1 Q9NYA1 4/20 0.44
MAPT P10636 3/20 0.44
CETP P11597 3/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 2/20 0.44
MAPK1 P28482 2/20 0.44
CXCR5 P32302 2/20 0.44
CCR6 P51684 2/20 0.44
BLM P54132 2/20 0.44
UBE2N P61088 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL8047265 0.82 MAPT (0.43) MAPTLMNATHRB
SCHEMBL15271044 0.80 MEN1 (0.52) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL16445081 0.80 MEN1 (0.52) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL15270824 0.80 MEN1 (0.52) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL6698177 0.78 MEN1 (0.50) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL8987948 0.78 MAPT (0.42) MAPTLMNATHRB
SCHEMBL7768205 0.78 MEN1 (0.50) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL20500716 0.78 MEN1 (0.50) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL11806456 0.78 MEN1 (0.50) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL666561 0.78 MAPT (0.42) MAPTLMNATHRBFAAHTRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131273-B1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-10-22 EP disclosed
EP-1131273-A1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-09-12 EP disclosed
WO-2000029362-A1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-05-25 WO disclosed