SCHEMBL6567753

SCHEMBL6567753

O=Cc1cc(OC2CCCC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
FFAR4 Q5NUL3 6/20 0.42
PARP10 Q53GL7 1/20 0.41
HPGD P15428 2/20 0.40
APP P05067 1/20 0.39
POLB P06746 1/20 0.39
PDK2 Q15119 3/20 0.38
EPHX2 P34913 1/20 0.38
FFAR1 O14842 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL24512640 0.86 APP (0.43) PTGS1PTGS2FFAR4APPFFAR1
SCHEMBL28703678 0.81 ACACB (0.40) FFAR4APPFFAR1
SCHEMBL29416716 0.81 ACACB (0.40) FFAR4APPFFAR1
SCHEMBL26345034 0.81 ACACB (0.40) FFAR4APPFFAR1
SCHEMBL29416754 0.81 ACACB (0.40) FFAR4APPFFAR1
SCHEMBL26345001 0.81 ACACB (0.40) FFAR4APPFFAR1
SCHEMBL17012836 0.79 PTGS1 (0.51) PTGS1PTGS2FFAR4PARP10PDK2
SCHEMBL6566396 0.78 HIF1A (0.50) POLBALDH1A1TSHR
SCHEMBL1134328 0.77 TYR (0.56) PTGS1PTGS2PARP10HPGDPOLB
SCHEMBL25331274 0.77 HPGD (0.57) PTGS1PTGS2FFAR4PARP10HPGD

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-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO disclosed