SCHEMBL7567572

SCHEMBL7567572

CC(C)Cc1ccccc1[C@H](C=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
BACE1 P56817 1/20 0.31
APLNR P35414 2/20 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
SCHEMBL7567576 1.00 GABRA1 (0.33) GABRA1GABRB2CTSSCTSKBACE1
SCHEMBL7567599 0.77 GABRA1 (0.35) GABRA1GABRB2BACE1
SCHEMBL8993629 0.77 GABRA1 (0.35) GABRA1GABRB2BACE1
SCHEMBL7564526 0.77 GABRA1 (0.35) GABRA1GABRB2BACE1
SCHEMBL8993464 0.74 TAAR1 (0.33)
SCHEMBL4583472 0.73 ATM (0.36)
SCHEMBL8406168 0.73 ATM (0.36)
SCHEMBL8402080 0.73 ATM (0.36)
SCHEMBL4950480 0.71 GABRA1 (0.44) GABRA1GABRB2CTSSCTSK
SCHEMBL8228214 0.71 GABRA1 (0.44) GABRA1GABRB2CTSSCTSK

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
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP disclosed
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed