SCHEMBL6154776

SCHEMBL6154776

COCOc1cc(CC=O)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CALM1 P0DP23 2/20 0.34
AKR1B1 P15121 1/20 0.34
DAO P14920 1/20 0.34
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL1162423 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CYP19A1MEN1
SCHEMBL28597517 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1MEN1
SCHEMBL13586643 0.84 ESR1 (0.49) ALDH1A1CYP1A1CYP1B1CYP19A1MEN1
SCHEMBL2636216 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP19A1KMT2A
SCHEMBL31471620 0.80 CYP1A1 (0.47) ALDH1A1CYP1A1CYP1B1CYP19A1
SCHEMBL7776888 0.77 FFAR1 (0.44) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL17386216 0.76 TACR1 (0.42) ALDH1A1CYP1A1CYP1B1CYP19A1MEN1
SCHEMBL2947790 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1HDAC3HDAC1
SCHEMBL18957652 0.75 HDAC8 (0.39) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6933949 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1

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