SCHEMBL1122364

SCHEMBL1122364

CCCCCCC(C(=O)O)c1cc2ccccc2n1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 10/20 0.43
ASAH1 Q13510 1/20 0.40
CNR2 P34972 4/20 0.39
MAPT P10636 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1122216 0.86 OXER1 (0.44) OXER1ASAH1CNR2PPARGPPARA
SCHEMBL1122202 0.86 MCL1 (0.46) OXER1CNR2
SCHEMBL1121881 0.85 OXER1 (0.43) OXER1ASAH1CNR2PPARGPPARA
SCHEMBL20678488 0.75 PPARG (0.45) CNR2MAPTPPARGPPARA
SCHEMBL11316020 0.73 AKR1C3 (0.50) CNR2PPARGPPARAPOLB
SCHEMBL11319751 0.73 AKR1C3 (0.50) CNR2PPARGPPARAPOLB
SCHEMBL2545036 0.73 AKR1C3 (0.50) CNR2PPARGPPARAPOLB
SCHEMBL2536993 0.73 AKR1C3 (0.50) CNR2PPARGPPARAPOLB
SCHEMBL1518057 0.73 TBXAS1 (0.54) ASAH1CNR2MAPTPOLB
SCHEMBL2552649 0.73 TBXAS1 (0.54) ASAH1CNR2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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