SCHEMBL5592687

SCHEMBL5592687

CCCOc1cc(-c2nc(CC(=O)Cc3ccccc3OCC(F)F)co2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.37
PDE4D Q08499 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPY2R P49146 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4639814 0.93 KDM4E (0.41) NPSR1LMNAKDM4EMEN1USP2
SCHEMBL4639422 0.91 SMN1; SMN2 (0.42) FPR2NPSR1LMNAKDM4EUSP2
SCHEMBL4641012 0.89 TSHR (0.41) PDE4DLMNAKDM4EMEN1USP2
SCHEMBL5592984 0.89 LMNA (0.36) NPSR1LMNAKDM4EMEN1USP2
SCHEMBL4641257 0.87 FPR2 (0.37) FPR2NPSR1KDM4E
SCHEMBL5592932 0.87 DHODH (0.41) FPR2LMNAKDM4EMEN1USP2
SCHEMBL4639429 0.86 KDM4E (0.37) NPSR1LMNAKDM4EMEN1USP2
SCHEMBL4639868 0.86 PDE4A (0.43) FPR2PDE4DLMNAMAPT
SCHEMBL4639603 0.85 PDE4A (0.44) PDE4D
SCHEMBL4639471 0.85 PDE4B (0.40) FPR2PDE4DLMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed