SCHEMBL6606627

SCHEMBL6606627

COc1cnc(/C(=C\c2c(Cl)cncc2Cl)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.49
PDE4A P27815 12/20 0.49
PDE4B Q07343 12/20 0.49
PDE4C Q08493 12/20 0.49
TRPC6 Q9Y210 3/20 0.39
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL6606630 1.00 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CTRPC6
SCHEMBL6609414 0.81 PDE4B (0.45) PDE4DPDE4APDE4BPDE4CTRPC6
SCHEMBL6609416 0.81 PDE4B (0.45) PDE4DPDE4APDE4BPDE4CTRPC6
SCHEMBL72555 0.78 PDE4D (0.73) PDE4DPDE4APDE4BPDE4C
SCHEMBL71286 0.78 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL72957 0.77 PDE4A (0.58) PDE4DPDE4APDE4BPDE4CTRPC6
SCHEMBL70981 0.74 PDE4B (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL70423 0.73 PDE4A (0.57) PDE4DPDE4APDE4BPDE4CTRPC6
SCHEMBL71422 0.73 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6610551 0.72 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKMT2A

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