SCHEMBL1121937

SCHEMBL1121937

O=C(O)CCCCCCCc1cc2cc(Br)c(Cl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 3/20 0.43
PRKAA2 P54646 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
PRKAA1 Q13131 1/20 0.43
FFAR1 O14842 6/20 0.40
TBXAS1 P24557 1/20 0.39
F13A1 P00488 3/20 0.39
DTYMK P23919 1/20 0.39
S1PR1 P21453 1/20 0.38
GPR17 Q13304 1/20 0.36

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
SCHEMBL1122056 0.78 GPR17 (0.48) FFAR1GPR17
SCHEMBL1122113 0.78 FFAR1 (0.49) FFAR1TBXAS1F13A1S1PR1GPR17
SCHEMBL10593440 0.78 SIRT1 (0.56) FFAR1S1PR1GPR17
SCHEMBL8541914 0.78 PRKAG1 (0.56) PRKAG1PRKAA2PRKAB1PRKAA1FFAR1
SCHEMBL1121803 0.75 DTYMK (0.40) FFAR1TBXAS1F13A1DTYMKGPR17
SCHEMBL29768662 0.73 MTNR1A (0.54) F13A1
SCHEMBL28879508 0.73 MTNR1A (0.54) F13A1
SCHEMBL19182734 0.73 MTNR1A (0.54) F13A1
SCHEMBL1121805 0.73 MTNR1A (0.54) F13A1
SCHEMBL1121917 0.73 GRIN1 (0.50) PRKAG1PRKAA2PRKAB1PRKAA1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328373-B2 Detection of Salmonella lactose+ RAMBACH ALAIN (FR) 2016-05-03 US claimed
EP-1931796-B9 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-06-08 EP claimed
EP-1931796-B1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-02-09 EP claimed
US-20100297690-A1 Detection of salmonella lactose+ RAMBACH ALAIN 2010-11-25 US claimed
US-9328373-B2 Detection of Salmonella lactose+ RAMBACH ALAIN (FR) 2016-05-03 US disclosed
US-20100297690-A1 Detection of salmonella lactose+ RAMBACH ALAIN 2010-11-25 US disclosed