SCHEMBL3393538

SCHEMBL3393538

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(F)cc2)NC(=O)N1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
PDE1C Q14123 2/20 0.56
GAA P10253 5/20 0.55
MAPT P10636 1/20 0.53
ADORA2B P29275 4/20 0.51
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL3434652 0.90 MEN1 (0.64) MEN1KMT2APDE1CGAAMAPT
SCHEMBL3398354 0.90 MEN1 (0.64) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3394377 0.89 MEN1 (0.62) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3393219 0.89 MEN1 (0.62) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3395886 0.89 MEN1 (0.62) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3399280 0.88 MEN1 (0.61) MEN1KMT2APDE1CGAAADORA2B
Hydrochloric Acid SCHEMBL3394808 0.88 MEN1 (0.61) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3435151 0.88 MEN1 (0.61) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL13425692 0.88 MEN1 (0.60) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3395613 0.88 MEN1 (0.60) MEN1KMT2APDE1CGAAADORA2B

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