SCHEMBL6156781

SCHEMBL6156781

CC(C)(C)[Si](C)(C)OCc1ccc(C=Cc2cccc(Br)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
BACE1 P56817 2/20 0.42
LCK P06239 1/20 0.38
HSD17B3 P37058 1/20 0.37
SLC6A19 Q695T7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3394945 0.81 CHRNA7 (0.49) CHRNA7MAOBBACE1HSD17B3ALDH1A1
SCHEMBL20298754 0.81 LCK (0.44) MAOBMAOABACE1LCKPPARG
SCHEMBL722684 0.80 IDO1 (0.56) MAOBMAOAIDO1AGXT
SCHEMBL9849151 0.80 GABRG2 (0.41) MAOBIDO1AGXTALDH1A1
SCHEMBL933403 0.77 CHRNA7 (0.38) CHRNA7MAOBMAOABACE1HSD17B3
SCHEMBL14282994 0.77 MAOB (0.47) MAOBPPARGIDO1AGXTALDH1A1
SCHEMBL481257 0.76 IDO1 (0.50) MAOBIDO1ALDH1A1
SCHEMBL8344755 0.76 BACE1 (0.34) MAOBMAOABACE1LCKIDO1
SCHEMBL6158612 0.76 HSP90AA1 (0.50) CHRNA7MAOBMAOAHSD17B3ALDH1A1
SCHEMBL10415076 0.76 BACE1 (0.40) BACE1PPARGPPARAIDO1AGXT

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