SCHEMBL13076232

SCHEMBL13076232

Fc1cccc(Cl)c1-c1nc(-c2ccc(-c3ccc4c(c3)CCO4)nc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 15/20 0.45
FABP3 P05413 5/20 0.43
FABP5 Q01469 1/20 0.41
DYRK1A Q13627 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 1/20 0.38
PTGES O14684 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 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
SCHEMBL13076246 0.87 NPC1 (0.37) DYRK1ARAB9ASMN1; SMN2PTGES
SCHEMBL3797909 0.86 PTGES (0.51) FABP4FABP3FABP5PTGES
SCHEMBL13076235 0.77 PTGES (0.49) PTGES
SCHEMBL3814333 0.76 PTGES (0.40) MAPTRAB9APTGES
SCHEMBL3796320 0.76 PTGES (0.49) PTGES
SCHEMBL3790651 0.75 PTGES (0.51) MAPTRAB9ASMN1; SMN2PTGES
SCHEMBL13076230 0.74 PTGES (0.43) PTGES
SCHEMBL3796002 0.74 PTGES (0.43) PTGES
SCHEMBL3799806 0.73 PTGES (0.44) MAPTRAB9APTGES
SCHEMBL29662800 0.73 PTGES (0.43) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed