SCHEMBL1121803

SCHEMBL1121803

O=C(O)CCCCCCCc1cc2c(Cl)c(Br)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.40
RHEB Q15382 2/20 0.39
TBXAS1 P24557 1/20 0.38
F13A1 P00488 3/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR17 Q13304 3/20 0.37
FFAR1 O14842 1/20 0.37
GHSR Q92847 1/20 0.36
EGFR P00533 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
OXER1 Q8TDS5 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
SCHEMBL8545427 0.76 RHEB (0.53) RHEBGPR17FFAR1EGFR
SCHEMBL1121937 0.75 PRKAG1 (0.43) DTYMKTBXAS1F13A1GPR17FFAR1
SCHEMBL1121917 0.75 GRIN1 (0.50) RHEBTBXAS1F13A1GPR17
SCHEMBL1122113 0.75 FFAR1 (0.49) TBXAS1F13A1MAPTRXFP1GPR17
SCHEMBL10593440 0.75 SIRT1 (0.56) GPR17FFAR1OXER1
SCHEMBL27498673 0.73 GPR17 (0.45) DTYMKTBXAS1F13A1MAPTRXFP1
SCHEMBL1122056 0.72 GPR17 (0.48) GPR17FFAR1OXER1
SCHEMBL1121990 0.72 F13A1 (0.41) RHEBTBXAS1F13A1MAPTRXFP1
SCHEMBL29768662 0.70 MTNR1A (0.54) F13A1MAPTRXFP1
SCHEMBL28879508 0.70 MTNR1A (0.54) F13A1MAPTRXFP1

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