SCHEMBL3383403

SCHEMBL3383403

CCCCN([C@@H](CCC(=O)O)C(=O)O)[PH](=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
MAPT P10636 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3382538 0.92 CYP1A2 (0.37) MAPTFFAR4FFAR1TDP1HSD17B10
SCHEMBL3384127 0.85 CYP1A2 (0.39) KDM4CCYP1A2
SCHEMBL3380552 0.77 HDAC1 (0.49) MAPTFFAR1HDAC11KDM5AKDM4C
SCHEMBL3802336 0.75 NOD1 (0.54) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL3802334 0.75 NOD1 (0.54) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL3382377 0.74 CYP1A2 (0.42) MAPTTSHRHSD17B10KDM4CCYP1A2
SCHEMBL3249203 0.73 NOD1 (0.56) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL7207492 0.73 AKR1B1 (0.45) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL7207489 0.73 AKR1B1 (0.45) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL29977697 0.73 NOD1 (0.56) AKR1B1FFAR4FFAR1GPR84PPARG

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