SCHEMBL6609841

SCHEMBL6609841

COc1cnc(C=O)cc1OC1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
PDE4D Q08499 7/20 0.47
PDE4A P27815 6/20 0.47
PDE4C Q08493 6/20 0.47
SLC6A4 P31645 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
NOX1 Q9Y5S8 1/20 0.37
FDPS P14324 1/20 0.35

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
SCHEMBL73312 0.81 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL498539 0.78 ALDH1A1 (0.60) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6607940 0.77 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL20219570 0.77 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6606093 0.76 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL1223854 0.76 ALDH1A1 (0.47) FDPS
SCHEMBL7152154 0.75 PDE4D (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605043 0.75 MAPT (0.43) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL6605036 0.75 MAPT (0.43) PDE4BPDE4DPDE4APDE4CNPC1
SCHEMBL6609749 0.74 PDE4A (0.48) PDE4BPDE4DPDE4APDE4CNPC1

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-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed