SCHEMBL6608422

SCHEMBL6608422

CCCCOc1cc(CO)ncc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SMPD1 P17405 4/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ENPP1 P22413 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL9915311 0.93 CYP1A2 (0.37) PDE4BPDE4APDE4CPDE4D
SCHEMBL6609628 0.85 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DSMPD1
SCHEMBL21749946 0.84 S1PR1 (0.44) PDE4BPDE4APDE4CPDE4DENPP1
SCHEMBL30918494 0.84 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL3930071 0.84 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6606573 0.81 PDE3B (0.36) PDE4BPDE4APDE4CPDE4DSMPD1
SCHEMBL11850880 0.81 ALOX5 (0.42) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL11843645 0.80 DPP4 (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL6608408 0.79 PDE4A (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL6610798 0.79 PDE4A (0.48) PDE4BPDE4APDE4CPDE4D

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