SCHEMBL8399368

SCHEMBL8399368

CCOc1cnc(CO)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE4B Q07343 8/20 0.40
PDE4A P27815 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
PDE3A Q14432 1/20 0.38
PDE7A Q13946 1/20 0.38
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
S1PR1 P21453 1/20 0.35
DGAT2 Q96PD7 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
RECQL P46063 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
SCHEMBL72368 0.88 PDE4A (0.50) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL6607613 0.86 POLB (0.47) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL6605813 0.82 POLB (0.44) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL71384 0.82 PDE4D (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL6606739 0.75 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL7376963 0.75 HTT (0.52) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL21749946 0.75 S1PR1 (0.44) PDE4BPDE4APDE4CPDE4DS1PR1
SCHEMBL7148127 0.73 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6606569 0.73 PDE4B (0.50) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL6605575 0.72 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDGFRB

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
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