SCHEMBL6157215

SCHEMBL6157215

CC(C)(C)[Si](C)(C)OCc1cc(CO)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
BACE1 P56817 1/20 0.34
TTR P02766 1/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
USP14 P54578 1/20 0.31
ACHE P22303 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DHFR P00374 1/20 0.30
S1PR1 P21453 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
SCHEMBL6156124 0.87 DRD2 (0.38) DRD2BACE1HPGDMAPT
SCHEMBL29377447 0.85 CYP1A2 (0.33) NPC1RAB9APOLBBACE1CYP4F2
SCHEMBL26978199 0.85 CYP1A2 (0.33) NPC1RAB9APOLBBACE1CYP4F2
SCHEMBL18149330 0.84 POLB (0.36) NPC1RAB9APOLBBACE1MAPT
SCHEMBL9137815 0.83 DRD2 (0.40) DRD2NPC1RAB9APOLBTTR
SCHEMBL661775 0.81 USP14 (0.35) NPC1RAB9APOLBBACE1TTR
SCHEMBL30080058 0.81 BACE1 (0.36) DRD2NPC1RAB9APOLBBACE1
SCHEMBL22275630 0.81 BACE1 (0.36) DRD2NPC1RAB9APOLBBACE1
SCHEMBL9585824 0.81 GAA (0.40) POLBBACE1HPGDMAPT
SCHEMBL7406091 0.81 GABRA1 (0.39) DRD2

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