SCHEMBL3397471

SCHEMBL3397471

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(F)F)c(O)c2)NC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.58
PDE1C Q14123 10/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PDE2A O00408 1/20 0.44
PDE8A O60658 1/20 0.44
PDE5A O76074 1/20 0.44
PDE9A O76083 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ADORA2B P29275 3/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3394970 0.89 GAA (0.69) GAAPDE1CMEN1KMT2AALOX15
SCHEMBL3393426 0.87 GAA (0.66) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL3394305 0.86 GAA (0.60) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL13425621 0.86 GAA (0.60) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL13426254 0.84 GAA (0.62) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL3395671 0.84 GAA (0.60) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL3397339 0.84 GAA (0.60) GAAPDE1CMEN1KMT2AADORA2B
SCHEMBL3395597 0.84 GAA (0.58) GAAPDE1CMEN1KMT2AKDM4E
SCHEMBL13426289 0.84 GAA (0.81) GAAPDE1CMEN1KMT2ATSHR
SCHEMBL3395486 0.83 GAA (0.57) GAAPDE1CMEN1KMT2AADORA2B

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