SCHEMBL1122064

SCHEMBL1122064

O=C(O)CCCCCCCc1cc2cc(I)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.45
MTNR1A P48039 1/20 0.41
F13A1 P00488 3/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TBXAS1 P24557 1/20 0.40
S1PR1 P21453 1/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
FFAR1 O14842 6/20 0.40
SERPINE1 P05121 1/20 0.39

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
SCHEMBL1122113 0.83 FFAR1 (0.49) GPR17MTNR1AF13A1MAPTRXFP1
SCHEMBL10593440 0.83 SIRT1 (0.56) GPR17S1PR1FFAR1
SCHEMBL1121805 0.81 MTNR1A (0.54) MTNR1AF13A1MAPTRXFP1
SCHEMBL28879508 0.81 MTNR1A (0.54) MTNR1AF13A1MAPTRXFP1
SCHEMBL29768662 0.81 MTNR1A (0.54) MTNR1AF13A1MAPTRXFP1
SCHEMBL19182734 0.81 MTNR1A (0.54) MTNR1AF13A1MAPTRXFP1
SCHEMBL6256471 0.80 MTNR1A (0.55) MTNR1AMAPTRXFP1
SCHEMBL2216550 0.78 S1PR1 (0.46) GPR17MTNR1AS1PR1FFAR1
SCHEMBL1459106 0.78 GHSR (0.46) MTNR1A
SCHEMBL8624497 0.77 CYP19A1 (0.48) MAPTSERPINE1

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