SCHEMBL13070592

SCHEMBL13070592

COC(=O)[C@@H](N)CNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 3/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LTA4H P09960 1/20 0.45
ERAP2 Q6P179 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL5761505 1.00 ANPEP (0.54) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL29888629 1.00 ANPEP (0.54) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
Hydrochloric Acid SCHEMBL5761503 0.98 ANPEP (0.53) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL14725112 0.84 SMN1; SMN2 (0.51) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL14611828 0.84 SMN1; SMN2 (0.51) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL1627443 0.83 SMN1; SMN2 (0.54) ANPEPSMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL23415475 0.83 ANPEP (0.60) ANPEPKMT2AMEN1BCHEALPI
SCHEMBL7068007 0.83 ANPEP (0.60) ANPEPKMT2AMEN1BCHEALPI
SCHEMBL7068003 0.83 ANPEP (0.60) ANPEPKMT2AMEN1BCHEALPI
SCHEMBL12548382 0.82 MAPT (0.55) ANPEPSMN1; SMN2MAPTL3MBTL1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed