SCHEMBL3380508

SCHEMBL3380508

O=C(O)CC[C@@H](C(=O)O)N(Cc1ccccc1)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.40
FOLH1 Q04609 3/20 0.40
KEAP1 Q14145 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPOR P19235 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7647484 0.87 KMT2A (0.38) CPA3FOLH1MAPK1ALDH1A1CYP2D6
SCHEMBL3380552 0.85 HDAC1 (0.49) CPA3FOLH1KEAP1MAPK1HDAC3
SCHEMBL7654496 0.83 EPOR (0.46) EPORFFAR1
SCHEMBL536547 0.80 CPA3 (0.53) CPA3NAALAD2FOLH1KEAP1MAPK1
SCHEMBL536546 0.80 CPA3 (0.53) CPA3NAALAD2FOLH1KEAP1MAPK1
SCHEMBL19384899 0.80 CPA3 (0.53) CPA3NAALAD2FOLH1KEAP1MAPK1
SCHEMBL7645012 0.79 OPRM1 (0.40) RAB9ASLC6A3
Hydrochloric Acid SCHEMBL3025760 0.78 CPA3 (0.51) CPA3NAALAD2FOLH1KEAP1MAPK1
Hydrochloric Acid SCHEMBL3025758 0.78 CPA3 (0.51) CPA3NAALAD2FOLH1KEAP1MAPK1
SCHEMBL3795262 0.78 CPA3 (0.51) CPA3NAALAD2FOLH1KEAP1MAPK1

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 6 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
US-5863536-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITOR FOR THE TREATMENT OF GLUTAMATE ABNORMALITIES AND ASSOCIATED NERVOUS TISSUE ISCHEMIA IN A ANIMAL AND FOR TREATMENT OF PROSTATE DISEASE GUILFORD PHARMACEUTICALS INC. (US) 1999-01-26 US disclosed