SCHEMBL583154

SCHEMBL583154

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.48
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
ATM Q13315 2/20 0.34
SLC6A4 P31645 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL582115 1.00 PLG (0.48) PLGGABRA1GABRG2GABRB3ATM
SCHEMBL581781 0.92 PLG (0.48) PLGGABRA1GABRG2GABRB3ATM
SCHEMBL581925 0.92 PLG (0.48) PLGGABRA1GABRG2GABRB3ATM
SCHEMBL582460 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3DPP4
SCHEMBL28812145 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3DPP4
SCHEMBL28812155 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3DPP4
SCHEMBL581017 0.84 PLG (0.49) PLGGABRA1GABRG2GABRB3
SCHEMBL582382 0.84 PLG (0.49) PLGGABRA1GABRG2GABRB3
SCHEMBL581404 0.84 PLG (0.43) PLGATMSLC6A4DPP4
SCHEMBL582340 0.84 PLG (0.43) PLGATMSLC6A4DPP4

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed