SCHEMBL6607613

SCHEMBL6607613

CCOc1cnc(CCl)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE4B Q07343 8/20 0.38
PDE3A Q14432 1/20 0.38
PDE4A P27815 9/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
PDE7A Q13946 1/20 0.35
CSNK2A1 P68400 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL6606739 0.87 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL8399368 0.86 POLB (0.47) POLBPDE4BPDE3APDE4APDE4C
SCHEMBL6605813 0.82 POLB (0.44) POLBPDE4BPDE3APDE4APDE4C
SCHEMBL72368 0.74 PDE4A (0.50) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL7148127 0.70 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6606836 0.70 PDE4D (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL24509871 0.70 ALDH1A1 (0.36) POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9784650 0.70 KDM4E (0.39) POLBKDM4EALDH1A1
SCHEMBL6605575 0.69 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL682485 0.69 POLB (0.57) POLBPDE4BPDE3APDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169792-C Substituted vinylpyridine derivatives and medicaments containing them ������ҩ��ʽ���� 2004-10-06 CN disclosed
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