SCHEMBL5809306

SCHEMBL5809306

COC(=O)C(=O)c1cc(C(C)(C)C)oc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP26A1 O43174 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2837643 0.83 ALDH1A1 (0.64) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL4948652 0.81 L3MBTL1 (0.66) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL5808339 0.79 L3MBTL1 (0.74) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13692387 0.77 L3MBTL1 (0.70) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL572624 0.77 L3MBTL1 (0.70) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13035827 0.76 L3MBTL1 (0.64) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13753404 0.75 CYP26A1 (0.60) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13076637 0.75 L3MBTL1 (1.00) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL573429 0.75 L3MBTL1 (0.68) L3MBTL1LMNATSHRGAAALDH1A1
SCHEMBL13753594 0.75 L3MBTL1 (0.62) L3MBTL1LMNATSHRGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed