SCHEMBL4640557

SCHEMBL4640557

COc1ccc(-c2nc(CC(=O)Cc3ccccc3C)co2)cc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.44
FPR2 P25090 1/20 0.40
PDE4B Q07343 10/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
THRB P10828 1/20 0.37

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
SCHEMBL4640423 0.93 PDE4A (0.43) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4639480 0.90 PDE4A (0.41) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4639868 0.88 PDE4A (0.43) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4639396 0.88 SMN1; SMN2 (0.44) LMNAMAPT
SCHEMBL4639456 0.88 PDE4A (0.40) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4639471 0.85 PDE4B (0.40) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4639520 0.85 PARP1 (0.43) PDE4BMAPTTHRB
SCHEMBL4641099 0.85 PDE4A (0.39) PDE4AFPR2PDE4BLMNAMAPT
SCHEMBL4273798 0.85 PDE4A (0.42) PDE4AFPR2PDE4BLMNAPDE4C
SCHEMBL4639857 0.84 S1PR1 (0.40) PDE4BLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed