SCHEMBL1122113

SCHEMBL1122113

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
GPR17 Q13304 1/20 0.45
MTNR1A P48039 1/20 0.41
F13A1 P00488 3/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TBXAS1 P24557 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL31561464 0.90 FFAR1 (0.54) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1122064 0.83 GPR17 (0.45) FFAR1GPR17MTNR1AF13A1MAPT
SCHEMBL10593440 0.83 SIRT1 (0.56) FFAR1GPR17S1PR1
SCHEMBL28879508 0.81 MTNR1A (0.54) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL1121805 0.81 MTNR1A (0.54) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL29768662 0.81 MTNR1A (0.54) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL19182734 0.81 MTNR1A (0.54) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL6256471 0.80 MTNR1A (0.55) HDAC3HDAC1HDAC2HDAC8MTNR1A
SCHEMBL28285787 0.80 GHSR (0.48) CYP19A1
SCHEMBL28689775 0.79 SIRT1 (0.49) FFAR1HDAC3HDAC4HDAC1HDAC7

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