SCHEMBL7777946

SCHEMBL7777946

CC(C)(C)[Si](C)(C)OCc1ccc(C#Cc2cccc(CC=O)c2)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.35
BACE1 P56817 1/20 0.34
GRM5 P41594 1/20 0.33
FFAR4 Q5NUL3 4/20 0.32
CYP2D6 P10635 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7775437 0.82 BACE1 (0.35) BACE1
SCHEMBL7770639 0.79 MAOB (0.38)
SCHEMBL6155420 0.79 ACACB (0.43) BACE1
SCHEMBL6885569 0.79 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL6884926 0.78 FFAR1 (0.34) FFAR1BACE1FFAR4
SCHEMBL6878730 0.78 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL7778151 0.76 PPARA (0.32) BACE1
SCHEMBL6881362 0.73 BACE1 (0.35) FFAR1BACE1FFAR4
SCHEMBL6881366 0.73 BACE1 (0.35) FFAR1BACE1FFAR4
SCHEMBL6155470 0.73 BACE1 (0.35) FFAR1BACE1FFAR4

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-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