SCHEMBL5058565

SCHEMBL5058565

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
LMNA P02545 3/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
MDM2 Q00987 1/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL30359455 0.93 MAPT (0.52) MAPTALDH1A1PTGS1TDP1L3MBTL1
SCHEMBL8251886 0.78 TDP1 (0.47) MAPTALDH1A1TDP1L3MBTL1CES2
SCHEMBL3349906 0.77 TDP1 (0.45) MAPTALDH1A1PTGS1TDP1L3MBTL1
SCHEMBL5497904 0.74 LMNA (0.46) MAPTALDH1A1TDP1L3MBTL1CES2
SCHEMBL4751891 0.72 ANPEP (0.44) PTGS1TDP1L3MBTL1CES2CES1
Phenylglyoxal SCHEMBL5493637 0.71 ALDH1A1 (0.56) MAPTALDH1A1PTGS1TDP1L3MBTL1
SCHEMBL5495906 0.70 MDM2 (0.43) MAPTALDH1A1PTGS1TDP1L3MBTL1
SCHEMBL3345719 0.69 CES1 (0.43) MAPTALDH1A1TDP1L3MBTL1CES2
SCHEMBL3345510 0.68 CES1 (0.45) MAPTALDH1A1TDP1L3MBTL1CES2
SCHEMBL3349186 0.68 TDP1 (0.44) MAPTALDH1A1TDP1L3MBTL1CES2

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
US-20080071062-A1 TETRA-, PENTA-, HEXA- AND HEPTAPEPTIDES HAVING ANTIANGIOGENIC ACTIVITY HAVIV FORTUNA 2008-03-20 US disclosed
US-7169888-B2 Tetra-, penta-, hexa- and heptapeptides having antiangiogenic activity ABBOTT LABORATORIES (US) 2007-01-30 US disclosed