SCHEMBL4771980

SCHEMBL4771980

COc1cc2c(Oc3ccc(C4CCOCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 6/20 0.34
MCHR1 Q99705 3/20 0.34
NPBWR1 P48145 1/20 0.34
PRSS12 P56730 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
FFAR1 O14842 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
IL2 P60568 1/20 0.33
MAP4K1 Q92918 1/20 0.33
DYRK1A Q13627 1/20 0.32
HTR7 P34969 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
SCHEMBL5210876 0.91 DYRK1A (0.38) L3MBTL1ESR1MCHR1PRSS12DYRK1A
SCHEMBL5216211 0.90 SMN1; SMN2 (0.39) L3MBTL1ESR1MCHR1PRSS12DYRK1A
SCHEMBL5214032 0.90 SMN1; SMN2 (0.39) L3MBTL1ESR1MCHR1PRSS12DYRK1A
SCHEMBL5214045 0.89 PDE4A (0.38) L3MBTL1GAAESR1MCHR1NPBWR1
SCHEMBL5763779 0.88 ALDH1A1 (0.37) ESR1MCHR1NPBWR1PRSS12
SCHEMBL4762803 0.88 NPC1 (0.38) L3MBTL1ESR1MCHR1NPBWR1PRSS12
SCHEMBL5213831 0.88 RXRA (0.35) L3MBTL1ESR1MCHR1PRSS12DYRK1A
SCHEMBL5252572 0.86 QDPR (0.49) L3MBTL1PRSS12PRKAB2PRKAG1PRKAA2
SCHEMBL5214658 0.86 PIK3CD (0.38) L3MBTL1ESR1MCHR1NPBWR1PRSS12
SCHEMBL5254722 0.84 PDE4B (0.41) L3MBTL1PRSS12

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-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed