SCHEMBL8535827

SCHEMBL8535827

CC(C)(C)[Si](C)(C)OCc1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
TACR1 P25103 1/20 0.33
SRC P12931 2/20 0.33
FABP4 P15090 2/20 0.32
FABP5 Q01469 2/20 0.32
BTN3A1 O00481 4/20 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
SCHEMBL13577115 0.76 BACE1 (0.43) BACE1TACR1BTN3A1
SCHEMBL8538648 0.76 HTT (0.41) SRC
SCHEMBL9766295 0.74 BACE1 (0.42) BACE1TACR1
SCHEMBL8535828 0.74 BACE1 (0.45) BACE1TACR1BTN3A1
SCHEMBL31094071 0.74 BACE1 (0.49) BACE1
SCHEMBL6673753 0.74 BACE1 (0.49) BACE1
SCHEMBL8538797 0.72 CYSLTR2 (0.43) SRC
SCHEMBL8538406 0.72 GABRA1 (0.42) SRC
SCHEMBL28552947 0.72 BACE1 (0.39) BACE1TACR1
SCHEMBL4609574 0.71 BACE1 (0.40) BACE1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed