SCHEMBL3380506

SCHEMBL3380506

N[C@@H](CCC(=O)OP(=O)(O)Cc1ccccc1)C(=O)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
LAP3 P28838 5/20 0.39
LTA4H P09960 1/20 0.38
FOLH1 Q04609 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL3380549 0.86 S1PR2 (0.46) ANPEPERAP1ERAP2LTA4HTDP1
SCHEMBL7606733 0.84 ANPEP (0.40) ANPEPERAP1ERAP2LAP3FOLH1
SCHEMBL7608422 0.80 ACP3 (0.40) FOLH1
SCHEMBL7610582 0.79 GABBR2 (0.43) ANPEPERAP1ERAP2LAP3FOLH1
SCHEMBL28574296 0.78 ACP3 (0.56) FOLH1
SCHEMBL7608351 0.78 ALDH1A1 (0.39) ANPEPERAP1ERAP2FOLH1PKM
SCHEMBL3380600 0.78 POLB (0.40) ANPEPERAP1ERAP2LTA4HPKM
SCHEMBL7604553 0.77 ACP3 (0.38) FOLH1PKM
SCHEMBL7610423 0.76 ACP3 (0.38) FOLH1PKM
SCHEMBL8734087 0.76 HDAC3 (0.47) LTA4HFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 US disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed