SCHEMBL9119027

SCHEMBL9119027

CC(C)(C)[Si](C)(C)O[C@@](C)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PTGS2 P35354 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN5 P54829 1/20 0.37
SGK1 O00141 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL731847 0.79 KIF11 (0.40) PPARAPTPN5KIF11
SCHEMBL7725823 0.76 KCNN4 (0.51) MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL5041181 0.74 CYP2C9 (0.49) CYP2C9PPARGPPARAPTGS2MAPT
SCHEMBL5041186 0.74 CYP2C9 (0.49) CYP2C9PPARGPPARAPTGS2MAPT
SCHEMBL11599887 0.72 PPARA (0.68) CYP2C9PPARGPPARAPTGS2MAPT
SCHEMBL31038336 0.71 PPARG (0.39) PPARGPPARAMAPTKMT2A
SCHEMBL3087883 0.70 CYP2C9 (0.61) CYP2C9PTGS2MAPTSMN1; SMN2PTPN5
SCHEMBL1679690 0.70 CYP2C9 (0.61) CYP2C9PTGS2MAPTSMN1; SMN2PTPN5
SCHEMBL3060223 0.69 MAPT (0.52) CYP2C9MAPTSMN1; SMN2PTPN5NPC1
SCHEMBL7720019 0.69 RAB9A (0.42) MAPTSMN1; SMN2NPC1

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
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