SCHEMBL3435823

SCHEMBL3435823

CC1=C(C(=O)OCC2CCCCC2)C(c2ccccc2O)NC(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GAA P10253 3/20 0.64
PDE1C Q14123 2/20 0.63
ADORA2B P29275 8/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10113175 0.88 SMN1; SMN2 (0.71) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL31705449 0.86 CA1 (0.76) MEN1KMT2AADORA2BSMN1; SMN2POLB
SCHEMBL5342389 0.86 CA1 (0.76) MEN1KMT2AADORA2BSMN1; SMN2POLB
SCHEMBL3391307 0.85 MEN1 (0.79) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3397385 0.82 MEN1 (0.81) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3397010 0.81 KIF11 (0.76) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425331 0.78 MEN1 (0.67) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425510 0.78 PDE1C (0.74) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL14413865 0.77 GAA (0.56) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL3395577 0.77 PDE1C (0.82) 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