SCHEMBL2930548

SCHEMBL2930548

CC1(C(=O)NC2CC2)CCCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
EPHX1 P07099 6/20 0.33
MME P08473 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 2/20 0.31

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
SCHEMBL14161850 0.74 CCR2 (0.49) HPGDEPHX1MMEMAPTMAPK1
SCHEMBL28826594 0.72 CCR2 (0.51) HPGDEPHX1MAPTMAPK1NPSR1
SCHEMBL1968938 0.71 TSHR (0.31)
SCHEMBL3455744 0.70 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL12020314 0.69 HPGD (0.46) HPGDEPHX1MAPTMAPK1NPSR1
SCHEMBL20194660 0.68 HPGD (0.55) HPGDEPHX1MAPTMAPK1NPSR1
SCHEMBL3835575 0.67 MAPT (0.44) HPGDEPHX1MMEMAPTPOLB
SCHEMBL1770504 0.65
SCHEMBL1464813 0.64 EPHX1 (0.43) HPGDEPHX1MMEMAPTMAPK1
SCHEMBL12469141 0.64 EPHX2 (0.42) HPGDEPHX1MAPTPOLBALDH1A1

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-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed