SCHEMBL4516539

SCHEMBL4516539

CCCCCCCCCc1ccc(C(=O)OCCCC)c(C(=O)OCCCC)c1CCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42

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
SCHEMBL27563598 1.00 TSHR (0.52) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL29055455 0.97 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL10601909 0.97 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL10429273 0.97 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL1983345 0.97 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL11310925 0.95 TSHR (0.52) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL7064713 0.95 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL5063801 0.95 ALDH1A1 (0.56) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL21357020 0.94 TSHR (0.54) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL11338437 0.92 TSHR (0.50) TSHRALDH1A1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118481-A1 High Affinity Nucleic Acid Ligands To Lectins GILEAD SCIENCES, INC. (US) 2009-05-07 US disclosed
US-7399752-B2 High affinity nucleic acid ligands to lectins GILEAD SCIENCE, INC. (US) 2008-07-15 US disclosed
US-20040072234-A1 High affinity nucleic acid ligands to lectins GILEAD SCIENCES, INC. 2004-04-15 US disclosed
US-20040043923-A1 High affinity nucleic acid ligands to lectins GILEAD SCIENCES, INC. 2004-03-04 US disclosed
US-6544959-B1 Treating a lectin-mediated disease comprising administering a nucleic acid having ligands that bind to lectins, particularly to wheat germ agglutinin, L- selectin, E-selectin and P-selectin. GILEAD SCIENCES, INC. 2003-04-08 US disclosed
US-20030059769-A1 High affinity nucleic acid ligands to lectins GILEAD SCIENCES, INC. 2003-03-27 US disclosed
US-6280932-B1 CONTACTING CANDIDATE MIXTURE OF MODIFIED, SINGLE-STRANDED RIBONUCLEIC ACIDS SELECTED FROM 2'-AMINO AND 2'-FLUORO MODIFIED RIBONUCLEIC ACIDS WITH LECTIN; PARTITIONING INCREASED AFFINITY RIBONUCLEIC ACIDS; AMPLIFYING GILEAD SCIENCES, INC. 2001-08-28 US disclosed
US-6001988-A PURIFIED, ISOLATED SYNTHETIC NUCLEIC ACID TO WHEAT GERM AGGLUTININ, SERUM MANNOSE BINDING PROTEIN, OR A SELECTIN; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTIMETASTASIS AGENTS; DIAGNOSTIC AND PROPHYLACTIC AGENTS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
US-5780228-A High affinity nucleic acid ligands to lectins NEXSTAR PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
US-5766853-A COMPLEXING NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-16 US disclosed
US-5487890-A TO NEUTRALIZE AND CLEAR ANTIGENS FROM CIRCULATORY SYSTEM UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1996-01-30 US disclosed
US-5470570-A Removal of viruses, proteins and microorganisms from circulatory system, HIV treatment UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1995-11-28 US disclosed
WO-1992005801-A1 PRIMATE ERYTHROCYTE BOUND MONOCLONAL ANTIBODY HETEROPOLYMERS UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1992-04-16 WO disclosed