SCHEMBL582098

SCHEMBL582098

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)cc1F.O=c1cc([C@H]2CCN[C@H](c3ccc(C(F)(F)F)cc3F)C2)o[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.41
SIGMAR1 Q99720 2/20 0.34
RORC P51449 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL581947 0.93 PLG (0.39) PLGSIGMAR1RORCTMEM97PDE2A
SCHEMBL581447 0.93 PLG (0.39) PLGSIGMAR1RORCTMEM97PDE2A
SCHEMBL3069768 0.93 PLG (0.39) PLGSIGMAR1RORCTMEM97PDE2A
SCHEMBL621875 0.93 PLG (0.39) PLGSIGMAR1RORCTMEM97PDE2A
SCHEMBL3796661 0.89 PLG (0.40) PLGSIGMAR1RORCTMEM97GABRA1
SCHEMBL588011 0.86 PLG (0.44) PLGSIGMAR1TMEM97GABRA1GABRG2
SCHEMBL581303 0.85 PLG (0.40) PLGSIGMAR1TMEM97
SCHEMBL581304 0.85 PLG (0.40) PLGSIGMAR1TMEM97
Acetic Acid SCHEMBL28797518 0.84 PLG (0.51) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581635 0.84 PLG (0.54) PLGGABRA1GABRG2GABRB3PDE2A

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