SCHEMBL581961

SCHEMBL581961

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(C(F)(F)F)c(F)c1.O=c1cc([C@H]2CCN[C@H](Cc3ccc(C(F)(F)F)c(F)c3)C2)o[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.53
P2RX7 Q99572 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE2A O00408 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
OPRK1 P41145 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
RORC P51449 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL587153 0.93 PLG (0.40) PLGEPHX2PDE2AJAK2JAK1
SCHEMBL582030 0.93 PLG (0.40) PLGEPHX2PDE2AJAK2JAK1
SCHEMBL3074929 0.93 PLG (0.40) PLGEPHX2PDE2AJAK2JAK1
SCHEMBL582031 0.93 PLG (0.40) PLGEPHX2PDE2AJAK2JAK1
SCHEMBL587340 0.87 PLG (0.54) PLG
SCHEMBL586957 0.85 PLG (0.56) PLGGABRA1GABRG2GABRB3TACR1
SCHEMBL586956 0.85 PLG (0.56) PLGGABRA1GABRG2GABRB3TACR1
SCHEMBL586955 0.85 PLG (0.56) PLGGABRA1GABRG2GABRB3TACR1
Acetic Acid SCHEMBL27852960 0.85 PLG (0.64) PLGPDE2AGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27852961 0.85 PLG (0.64) PLGPDE2AGABRA1GABRG2GABRB3

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