SCHEMBL1122216

SCHEMBL1122216

CCCCCCC(C(=O)O)c1cc2ccccc2n1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 10/20 0.44
CNR2 P34972 5/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
CNR1 P21554 3/20 0.38
ASAH1 Q13510 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1122202 0.87 MCL1 (0.46) OXER1CNR2
SCHEMBL1121881 0.86 OXER1 (0.43) OXER1CNR2CNR1ASAH1PPARG
SCHEMBL1122364 0.86 OXER1 (0.43) OXER1CNR2ASAH1PPARGPPARA
SCHEMBL20678488 0.76 PPARG (0.45) CNR2PPARGPPARAALDH1A1
SCHEMBL1121908 0.76 L3MBTL1 (0.40) OXER1CNR2CNR1ALDH1A1
SCHEMBL8015861 0.74 KDM4E (0.49) CNR2CNR1
SCHEMBL11319751 0.74 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL11316020 0.74 AKR1C3 (0.50) CNR2PPARGPPARA
SCHEMBL451183 0.74 KDM4E (0.49) CNR2CNR1
SCHEMBL2545036 0.74 AKR1C3 (0.50) CNR2PPARGPPARA

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