SCHEMBL6594686

SCHEMBL6594686

O=C(CCCCCl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CES1 P23141 2/20 0.48
CES2 O00748 1/20 0.48
AKR1B1 P15121 1/20 0.48
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PAM P19021 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL8859766 0.98 L3MBTL1 (0.49) L3MBTL1TDP1CES1CES2AKR1B1
SCHEMBL3893395 0.94 L3MBTL1 (0.51) L3MBTL1TDP1CES1CES2AKR1B1
SCHEMBL5572550 0.86 L3MBTL1 (0.55) L3MBTL1TDP1CES1CES2AKR1B1
SCHEMBL29256114 0.85 L3MBTL1 (0.50) L3MBTL1TDP1CES1CES2AKR1B1
SCHEMBL2342367 0.84 MAPT (0.62) L3MBTL1TDP1CES1CES2AKR1B1
SCHEMBL13443080 0.83 MAPT (0.61) TDP1CES1MAPTRXFP1HDAC8
SCHEMBL3242212 0.83 KEAP1 (0.53) L3MBTL1TDP1MAPTRXFP1HDAC8
SCHEMBL4644022 0.83 CES2 (0.63) L3MBTL1CES1CES2AKR1B1MAPT
SCHEMBL13089543 0.83 HDAC1 (0.60) TDP1CES1MAPTRXFP1HDAC8
SCHEMBL25456057 0.82 MAPT (0.66) L3MBTL1TDP1CES1MAPTRXFP1

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-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP disclosed
US-6107495-A REACTING SPECIFIED 1-(2- OR 3-THIENYL) CYCLOHEXANES WITH A 1,5-DIHALOPENTANE TO FORM CYCLIC (THIENYLCYCLOHEXYL)AMINES SUCH AS 2-ALKYL-(3-THIENYL)CYCLOHEXYL PIPERIDINE; USE AS INTERMEDIATES TO RADIOACTIVE LABELLED MOLECULES SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-08-22 US disclosed
EP-0915867-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 1999-05-19 EP disclosed
WO-1998003498-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 1998-01-29 WO disclosed