SCHEMBL7916052

SCHEMBL7916052

COc1ccc(C(O)CN)cc1OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.61
BLM P54132 3/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
ADRA2A P08913 2/20 0.48
ADRA1A P35348 2/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PDE4B Q07343 2/20 0.44
CYP3A4 P08684 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SLC22A3 O75751 1/20 0.43

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
SCHEMBL15921910 0.86 NFKB1 (0.75) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL29633151 0.86 NFKB1 (0.75) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL7148550 0.86 NFKB1 (0.75) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL1966507 0.86 NFKB1 (0.75) NFKB1BLMPMP22HIF1AEPAS1
Hydrochloric Acid SCHEMBL8904803 0.84 BLM (0.76) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL6588285 0.82 HIF1A (0.45) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL30352690 0.81 NFKB1 (0.60) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL22713903 0.81 NFKB1 (0.60) NFKB1BLMPMP22HIF1AEPAS1
SCHEMBL7914446 0.81 NFKB1 (0.60) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL30352570 0.79 PDE4B (0.63) NFKB1BLMPMP22ADRA2AADRA1A

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