SCHEMBL3399115

SCHEMBL3399115

CCC1=C(C(=O)OCC2CCCCC2)C(c2cc(O)c(O)cc2F)NC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 5/20 0.50
PDE1C Q14123 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ADORA2B P29275 7/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13425613 0.88 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3398333 0.88 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL13425584 0.86 GAA (0.49) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3397968 0.85 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL13425562 0.85 MEN1 (0.56) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3395486 0.85 GAA (0.57) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3394305 0.84 GAA (0.60) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13426254 0.84 GAA (0.62) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3399386 0.83 MEN1 (0.49) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3393426 0.83 GAA (0.66) MEN1KMT2AGAAPDE1CADORA2B

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed