SCHEMBL7909459

SCHEMBL7909459

CC(C)(CCO)c1ccc(OC[C]=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
ACACB O00763 3/20 0.37
AR P10275 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
APP P05067 1/20 0.34
HTT P42858 2/20 0.34
NR4A2 P43354 1/20 0.34
HIF1A Q16665 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL15845321 0.80 CYP3A4 (0.58) SMN1; SMN2CYP3A4ACACBALDH1A1MEN1
SCHEMBL1059941 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1LMNAPOLB
SCHEMBL2170360 0.74 CA12 (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL513003 0.72 ALDH1A1 (0.49) ALDH1A1
SCHEMBL10707563 0.72 ACACB (0.39) SMN1; SMN2ACACBKDM4EALDH1A1
SCHEMBL7904973 0.71 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4ACACBPOLBAPP
SCHEMBL23091406 0.71 HRH3 (0.51) HRH3
SCHEMBL13902305 0.70 CYP3A4 (0.68) SMN1; SMN2CYP3A4ACACBALDH1A1MEN1
SCHEMBL1274091 0.70 LTA4H (0.45) MEN1KMT2AHRH3
SCHEMBL514644 0.69 L3MBTL1 (0.47) CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163374-A2 ARRAYS OF ORGANIC COMPOUNDS ATTACHED TO SURFACES Syntrix Biochip, Inc. (US) 2001-12-19 EP disclosed
EP-1163520-A1 POROUS COATINGS BEARING LIGAND ARRAYS Syntrix Biochip, Inc. (US) 2001-12-19 EP disclosed
WO-2000033084-A2 ARRAYS OF ORGANIC COMPOUNDS ATTACHED TO SURFACES SYNTRIX BIOCHIP, INC. (US) 2000-06-08 WO disclosed
WO-2000033078-A1 POROUS COATINGS BEARING LIGAND ARRAYS SYNTRIX BIOCHIP, INC. (US) 2000-06-08 WO disclosed