SCHEMBL9562796

SCHEMBL9562796

COC(=O)C[C@@H](CBr)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.37
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
ABL1 P00519 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TACR3 P29371 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
SCHEMBL29740346 0.92 KCNA5 (0.40) KCNA5ALDH1A1POLBKMT2ATSHR
SCHEMBL9562826 0.88 KCNA5 (0.38) KCNA5ALDH1A1MEN1POLBKMT2A
SCHEMBL12268284 0.88 MAPT (0.39) KCNA5ALDH1A1TSHRMAPT
SCHEMBL8953119 0.88 MAPT (0.38) MAPT
SCHEMBL8953126 0.88 MAPT (0.38) MAPT
SCHEMBL3403997 0.85 KCNA5 (0.42) KCNA5ALDH1A1KMT2ATSHRMAPT
SCHEMBL3779621 0.85 KCNA5 (0.42) KCNA5ALDH1A1KMT2ATSHRMAPT
SCHEMBL5830575 0.85 KCNA5 (0.42) KCNA5ALDH1A1KMT2ATSHRMAPT
SCHEMBL10849734 0.85 KCNA5 (0.36) KCNA5ALDH1A1TSHRMAPTRAB9A
SCHEMBL6122228 0.83 HTT (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256692-A Sulfur-containing HMG-COA reductase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-10-26 US disclosed
US-5202327-A PHOSPHORUS-CONTAINING HMG-COA REDUCTASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0522431-A1 Phophorus-containing HMG-COA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1993-01-13 EP disclosed