SCHEMBL5208539

SCHEMBL5208539

CCC(=O)n1c(=O)oc2cc(C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.52
MIF P14174 4/20 0.49
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CD74 P04233 1/20 0.40
MEN1 O00255 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL27599848 0.87 ASAH1 (0.51) ASAH1MIFALDH1A1TP53KMT2A
SCHEMBL10165252 0.83 ASAH1 (0.52) ASAH1MIFALDH1A1TP53KMT2A
SCHEMBL3866731 0.80 ALDH1A1 (0.64) ASAH1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13367743 0.74 MIF (0.66) MIFALDH1A1KMT2APOLBLMNA
SCHEMBL15788594 0.73 OGT (0.62) ASAH1MIFALDH1A1TP53KMT2A
SCHEMBL5302441 0.73 MIF (0.63) MIFTP53KMT2APOLBLMNA
SCHEMBL1025445 0.72 PKM (0.58) MIFALDH1A1KMT2APOLBLMNA
SCHEMBL16601597 0.72 HPGD (0.64) MIFTP53KMT2ASMN1; SMN2CD74
SCHEMBL5286912 0.70 MIF (0.53) ASAH1MIFALDH1A1TP53KMT2A
SCHEMBL16366708 0.70 ASAH1 (0.56) ASAH1ALDH1A1TP53KMT2ALMNA

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-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed