SCHEMBL1121881

SCHEMBL1121881

CCCCCCC(C(=O)O)c1cc2ccccc2n1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 10/20 0.43
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
PPARG P37231 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ASAH1 Q13510 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PLA2G4A P47712 1/20 0.37

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) OXER1CNR2CNR1PPARGASAH1
SCHEMBL1122202 0.86 MCL1 (0.46) OXER1CNR2
SCHEMBL1122364 0.85 OXER1 (0.43) OXER1CNR2PPARGASAH1PPARA
SCHEMBL20678488 0.75 PPARG (0.45) CNR2PPARGPTGESALOX5LCK
SCHEMBL1122370 0.74 L3MBTL1 (0.39) OXER1CNR2CNR1LCKPPARD
SCHEMBL11316020 0.73 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL2536993 0.73 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL11319751 0.73 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL2545036 0.73 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL1518057 0.73 TBXAS1 (0.54) CNR2LCKPPARDZDHHC20ZDHHC2

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