SCHEMBL6156485

SCHEMBL6156485

CCOCOc1cc(CO)cc(OCOCC)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
NQO1 P15559 1/20 0.34
ACHE P22303 1/20 0.33
DAO P14920 1/20 0.33
F2 P00734 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
MAPT P10636 1/20 0.31
FYN P06241 1/20 0.31
LTA4H P09960 1/20 0.31
CALM1 P0DP23 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16035693 0.96 CYP4F2 (0.36) CYP4F2CYP4A11NQO1ACHEDAO
SCHEMBL6155258 0.88 ACHE (0.32) CYP4F2CYP4A11ACHEDAOGPBAR1
SCHEMBL8751920 0.85 NQO1 (0.46) NQO1LTA4HALDH1A1
SCHEMBL2938664 0.83 NQO1 (0.46) CYP4F2CYP4A11NQO1ACHELTA4H
SCHEMBL16033984 0.80 NQO1 (0.34) NQO1MAPTALDH1A1
SCHEMBL643648 0.79 FYN (0.40) CYP4F2CYP4A11ACHEDAOGPBAR1
SCHEMBL6155263 0.79 FFAR1 (0.34)
SCHEMBL5236102 0.79 NQO1 (0.46) CYP4F2CYP4A11NQO1ACHEDAO
SCHEMBL16101859 0.77 NQO1 (0.39) NQO1ALDH1A1
SCHEMBL8264227 0.76 CALM1 (0.47) NQO1DAOMAPTCALM1ALDH1A1

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