SCHEMBL3380549

SCHEMBL3380549

N[C@@H](CCC(=O)OP(=O)(O)CCCc1ccccc1)C(=O)OP(=O)(O)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
ERAP2 Q6P179 1/20 0.43
LPAR1 Q92633 6/20 0.43
GRIK1 P39086 1/20 0.42
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 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
SCHEMBL3380506 0.86 ANPEP (0.40) ANPEPERAP1ERAP2LTA4HTDP1
SCHEMBL7628886 0.82 HDAC3 (0.49) S1PR2S1PR4S1PR1S1PR3LPAR1
SCHEMBL8736669 0.79 HDAC3 (0.57) LPAR1LMNATDP1TSHRHDAC3
SCHEMBL3383402 0.77 LAP3 (0.38) S1PR2S1PR4S1PR1S1PR3
SCHEMBL8459534 0.76 CA12 (0.47) S1PR2S1PR4S1PR1S1PR3LPAR1
SCHEMBL3382537 0.76 P2RY10 (0.33) S1PR2S1PR4S1PR1S1PR3
SCHEMBL3380600 0.75 POLB (0.40) ANPEPERAP1ERAP2LTA4HTDP1
SCHEMBL8190038 0.73 ERAP1 (0.46) S1PR2S1PR4S1PR1S1PR3ANPEP
SCHEMBL8458503 0.73 CA12 (0.46) S1PR2S1PR4S1PR1S1PR3LPAR1
SCHEMBL3384123 0.72 CYP2D6 (0.33)

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