SCHEMBL6584431

SCHEMBL6584431

COc1ccc(C2CCN(C)C(=O)O2)cc1OCCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
HTR2C P28335 5/20 0.46
FADS1 O60427 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6583751 0.91 SIGMAR1 (0.51) HIF1AEPAS1SIGMAR1
SCHEMBL6586286 0.84 PDE4B (0.45) HIF1AEPAS1SIGMAR1
SCHEMBL6584261 0.84 PDE4B (0.51) HTR2CMAPK1HTR2AHTR2BALDH1A1
SCHEMBL7963965 0.82 PDE4A (0.50)
SCHEMBL6583426 0.81 PDE4B (0.51)
SCHEMBL6583354 0.81 HIF1A (0.45) HIF1AEPAS1HTR2CMAPK1SMN1; SMN2
SCHEMBL6583511 0.80 PDE4B (0.44) HIF1AEPAS1HTR2CSIGMAR1MAPK1
SCHEMBL6582719 0.80 PDE4B (0.48)
SCHEMBL6582911 0.80 PDE4B (0.51) HIF1AEPAS1HTR2CSMN1; SMN2ALDH1A1
SCHEMBL6585235 0.80 HPGD (0.40) HIF1AEPAS1HTR2CSMN1; SMN2HTR2A

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-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed