SCHEMBL6158548

SCHEMBL6158548

CC1(C)OCc2cc(C=Cc3cccc(Br)c3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
METAP2 P50579 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
HSD17B3 P37058 1/20 0.37
CHRNA7 P36544 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CISD1 Q9NZ45 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SLC6A19 Q695T7 1/20 0.34
BACE1 P56817 1/20 0.34
APP P05067 4/20 0.33
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 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
SCHEMBL6155589 0.88 TUBB4A (0.38) METAP2MAOBALDH1A1APPCYP19A1
SCHEMBL828814 0.80 FAAH (0.39) BACE1
SCHEMBL6155717 0.77 TUBB4A (0.38) MAOBALDH1A1APPCYP19A1
SCHEMBL6156513 0.76 ALDH1A1 (0.42) MAOBALDH1A1
SCHEMBL30044913 0.76 ALDH1A1 (0.42) MAOBALDH1A1
SCHEMBL28746936 0.76 MAOB (0.33) MAOBALDH1A1
SCHEMBL14898033 0.75 KDM4E (0.50) ATMALDH1A1BACE1APP
SCHEMBL3393635 0.71 DYRK1A (0.51) ATMGPR55METAP2HSD17B3ALDH1A1
SCHEMBL29449927 0.70 AHR (0.36) BACE1
SCHEMBL14881392 0.70 AHR (0.36) BACE1

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