SCHEMBL6564844

SCHEMBL6564844

CCC1(c2ccc(-c3cccc(C=O)c3)c(C)c2)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
NPY5R Q15761 1/20 0.34
PRKDC P78527 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MCHR1 Q99705 1/20 0.31
AXL P30530 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 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
SCHEMBL3279952 0.82 ALDH1A1 (0.37) BRD4TRIM24TRIM33DRD2DRD1
SCHEMBL6564846 0.80 PRKDC (0.38) NPY5RPRKDC
SCHEMBL2025223 0.69 BRD4 (0.43) BRD4TRIM24TRIM33CA12CA1
SCHEMBL2911266 0.69 ESR2 (0.59) BRD4TRIM24TRIM33CA12CA1
SCHEMBL16726969 0.69 BRD4 (0.43) BRD4TRIM24TRIM33NPY5RCA12
SCHEMBL3479559 0.68 BRD4 (0.47) BRD4TRIM24TRIM33CA12CA1
SCHEMBL26704142 0.67 SLC1A3 (0.45) BRD4TRIM24TRIM33CA12CA1
SCHEMBL13593734 0.67 CHRNA1 (0.41)
SCHEMBL2561660 0.66 TRIM24 (0.63) BRD4TRIM24TRIM33
SCHEMBL6062294 0.66 EGLN2 (0.41) BRD4TRIM24TRIM33CA12CA1

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
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed