SCHEMBL1122202

SCHEMBL1122202

CCCCCCC(C(=O)O)c1cc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
OXER1 Q8TDS5 9/20 0.44
CNR2 P34972 2/20 0.42

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 0.87 OXER1 (0.44) OXER1CNR2
SCHEMBL1122364 0.86 OXER1 (0.43) OXER1CNR2
SCHEMBL1121881 0.86 OXER1 (0.43) OXER1CNR2
SCHEMBL24345958 0.81 KMT2A (0.41) MCL1OXER1CNR2
SCHEMBL28965280 0.79 KMT2A (0.42) MCL1OXER1CNR2
SCHEMBL16862658 0.78 OXER1 (0.44) MCL1OXER1
SCHEMBL20678488 0.76 PPARG (0.45) CNR2
SCHEMBL7680837 0.75 CNR2 (0.40) CNR2
SCHEMBL11319751 0.74 AKR1C3 (0.50) CNR2
SCHEMBL11316020 0.74 AKR1C3 (0.50) CNR2

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