SCHEMBL7916029

SCHEMBL7916029

COc1ccc(C(O)CN)cc1O[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.52
PDE4D Q08499 8/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL7916025 1.00 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL30352576 0.89 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL22713916 0.89 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL6585547 0.86 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL6585543 0.86 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7913418 0.84 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL7915754 0.83 PDE4A (0.58) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL7919796 0.81 PDE4B (0.61) PDE4APDE4DPDE4BPDE4CNFKB1
SCHEMBL7341124 0.76 PDE4A (0.78) PDE4APDE4DPDE4BPDE4C
SCHEMBL29633151 0.75 NFKB1 (0.75) NFKB1BLMPMP22

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed