SCHEMBL8993629

SCHEMBL8993629

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
BACE1 P56817 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB3 P13945 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7564526 1.00 GABRA1 (0.35) GABRA1GABRB2BACE1FABP4FABP5
SCHEMBL7567599 1.00 GABRA1 (0.35) GABRA1GABRB2BACE1FABP4FABP5
SCHEMBL25348938 0.78 ADRB2 (0.43) FABP4FABP5ADRB3ADRB2ADRB1
SCHEMBL25348941 0.78 ADRB2 (0.43) FABP4FABP5ADRB3ADRB2ADRB1
SCHEMBL7567572 0.77 GABRA1 (0.33) GABRA1GABRB2BACE1
SCHEMBL7567576 0.77 GABRA1 (0.33) GABRA1GABRB2BACE1
SCHEMBL8405171 0.75 ATM (0.42) MAPK1PPARGPPARAKMT2ALMNA
SCHEMBL3232420 0.75 ATM (0.42) MAPK1PPARGPPARAKMT2ALMNA
SCHEMBL7567010 0.75 ATM (0.42) MAPK1PPARGPPARAKMT2ALMNA
SCHEMBL22284107 0.72 LMNA (0.40) NPC1RAB9ASMN1; SMN2LMNACYP2C9

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
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