SCHEMBL7570004

SCHEMBL7570004

CC(C)(C)[Si](C)(C)OC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
PPARA Q07869 4/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.38
FFAR2 O15552 3/20 0.36
POLB P06746 2/20 0.36
MAOA P21397 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7567010 0.85 ATM (0.42) PPARGPPARAKMT2ACYP2D6CYP3A4
SCHEMBL8405171 0.85 ATM (0.42) PPARGPPARAKMT2ACYP2D6CYP3A4
SCHEMBL3232420 0.85 ATM (0.42) PPARGPPARAKMT2ACYP2D6CYP3A4
SCHEMBL6436887 0.84 GRN (0.36) PPARGPPARAMEN1KMT2ACYP3A4
SCHEMBL6436889 0.84 GRN (0.36) PPARGPPARAMEN1KMT2ACYP3A4
SCHEMBL3735338 0.83 NPSR1 (0.44) MEN1KMT2ACYP1A2MAPTPOLB
SCHEMBL8310048 0.82 MEN1 (0.41) PPARGPPARAMEN1KMT2ACYP2C19
SCHEMBL8310050 0.82 MEN1 (0.41) PPARGPPARAMEN1KMT2ACYP2C19
SCHEMBL730392 0.81 PRSS1 (0.38) MAPT
SCHEMBL3745677 0.81 PPARA (0.40) PPARGPPARAMEN1KMT2ACYP2D6

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
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US disclosed