SCHEMBL6157517

SCHEMBL6157517

CC1(C)OCc2cc(CBr)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.35
EPAS1 Q99814 6/20 0.35
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL23612453 0.85 PARP1 (0.42) HIF1AEPAS1ALOX15ALOX12TSHR
SCHEMBL6155424 0.84 CYP4F2 (0.36) ALOX15ALOX12TSHR
SCHEMBL6189927 0.81 PTGS2 (0.38) ALOX15ALOX12
SCHEMBL5534700 0.81 HIF1A (0.32) HIF1AEPAS1ALOX15ALOX12TSHR
SCHEMBL828814 0.78 FAAH (0.39) TSHR
Acetic Acid SCHEMBL5482093 0.78 KDM4E (0.38) ALOX15ALOX12
SCHEMBL27545532 0.77 MAOB (0.31) MAOB
SCHEMBL13018533 0.77 CTSB (0.42)
SCHEMBL10257181 0.76 MMP12 (0.38) ALOX12TSHR
SCHEMBL19143726 0.76 ALOX15 (0.39) HIF1AEPAS1ALOX15ALOX12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed