SCHEMBL6564833

SCHEMBL6564833

CC/C(=C/CCC(CC)(CC)O[Si](CC)(CC)CC)c1cncc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.31
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30
GAA P10253 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
SCHEMBL6564835 1.00 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL6564825 1.00 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19POLBHCAR2
SCHEMBL6566192 0.86
SCHEMBL6566195 0.86
SCHEMBL6566186 0.86
SCHEMBL6566284 0.85
SCHEMBL6156409 0.83 PTGS1 (0.34) POLBKDM4EMAPTL3MBTL1GAA
SCHEMBL6156400 0.83 PTGS1 (0.34) POLBKDM4EMAPTL3MBTL1GAA
SCHEMBL6156405 0.83 PTGS1 (0.34) POLBKDM4EMAPTL3MBTL1GAA
SCHEMBL6882455 0.80 POLB (0.38) CYP1A2CYP3A4CYP2C19POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed