SCHEMBL581237

SCHEMBL581237

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.51
SIGMAR1 Q99720 1/20 0.48
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
LIPE Q05469 1/20 0.35
PDE2A O00408 2/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL581217 0.88 PLG (0.48) PLGSIGMAR1HTR2C
SCHEMBL581069 0.87 PLG (0.54) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL581429 0.86 SIGMAR1 (0.51) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL581280 0.85 PLG (0.47) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL581283 0.85 PLG (0.57) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL581113 0.84 PLG (0.46) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL580805 0.84 PLG (0.43) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL582489 0.83 PLG (0.50) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL598012 0.83 PLG (0.42) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL588248 0.83 PLG (0.42) PLGSIGMAR1GABRA1GABRG2GABRB3

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