SCHEMBL5495906

SCHEMBL5495906

N[C@@H](CO)C(=O)c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
LMNA P02545 2/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39

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
SCHEMBL3140987 0.92 MDM2 (0.48) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL6425250 0.92 MDM2 (0.48) MDM2TDP1L3MBTL1CES1CES2
Hydrochloric Acid SCHEMBL3735309 0.90 MDM2 (0.47) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL5057390 0.86 MDM2 (0.41) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL4751891 0.84 ANPEP (0.44) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL1969120 0.82 L3MBTL1 (0.41) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL30574107 0.81 ALDH1A1 (0.41) MDM2TDP1L3MBTL1LMNAALPI
SCHEMBL1970885 0.80 BLM (0.47) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL2460854 0.78 TDP1 (0.50) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL8180082 0.77 CES2 (0.46) CES1CES2LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 WO disclosed