SCHEMBL3789015

SCHEMBL3789015

CC[N+](CC)(CCCNC(=O)CC[C@@H](C)[C@H]1CCC2C3CCC4CCCC[C@]4(C)C3CC[C@@]21C)CCCS(=O)(=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 3/20 0.65
GPBAR1 Q8TDU6 8/20 0.62
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
EFNA1 P20827 1/20 0.56
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NR1H4 Q96RI1 3/20 0.56
ABCC4 O15439 3/20 0.56
VDR P11473 2/20 0.56
CA1 P00915 2/20 0.49

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
SCHEMBL58082 0.92 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL18045259 0.92 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL4777980 0.92 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Water SCHEMBL278724 0.92 EPHA2 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Water SCHEMBL8333417 0.92 EPHA2 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL6027325 0.87 EPHA2 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Sulfuric Acid SCHEMBL2285700 0.86 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL55596 0.85 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Iodide SCHEMBL17786160 0.85 EPHA2 (0.72) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Iodide SCHEMBL17786158 0.85 EPHA2 (0.72) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186931-B1 FINE CARBON FIBER AGGREGATE MASS FOR REDISPERSION AND PROCESS FOR PRODUCTION THEREOF UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-12-17 EP disclosed
US-8486362-B2 Redispersible agglomerate of fine carbon fibers and method for producing thereof NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-07-16 US disclosed
US-20100329966-A1 FINE CARBON FIBER AGGREGATE MASS FOR REDISPERSION AND PROCESS FOR PRODUCTION THEREOF NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2010-12-30 US disclosed
US-7531338-B2 Purified and isolated heparan sulfate 3-O-sulfotransferase isoform 5 nucleic acids and polypeptides and therapeutic and screening methods using same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-05-12 US disclosed
US-20060165673-A1 Purified and isolated heparan sulfate 3-o-sulfotransferase isoform 5 nucleic acids and polypeptides and therapeutic and screening methods using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-27 US disclosed
WO-2004005475-A2 PURIFIED AND ISOLATED HEPARAN SULFATE 3-O-SULFOTRANSFERASE ISOFORM 5 NUCLEIC ACIDS AND POLYPEPTIDES AND THERAPEUTIC AND SCREENING METHODS USING SAME UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-01-15 WO disclosed
US-6140368-A VIRICIDAL PROPERTIES AGAINST RETROVIRUSES; INHIBITORS OF HIV REVERSE TRANSCRIPTASE AND/OR HIV INTEGRASE; AIDS THERAPY; NONTOXIC; ALSO TOPICAL TREATMENT OF RETROVIRAL DISEASES, E.G. HERPES SIMPLEX. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-10-31 US disclosed
WO-1998050347-A1 NAPHTHOLS USEFUL IN ANTIVIRAL METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-12 WO disclosed
EP-0820295-A4 MODIFIED LYSINE OR ARGININE CONTAINING PROTEINS AND PEPTIDES NEW YORK BLOOD CENTER INC (US) 1998-06-10 EP disclosed
EP-0820295-A1 MODIFIED LYSINE OR ARGININE CONTAINING PROTEINS AND PEPTIDES THE NEW YORK BLOOD CENTER (US) 1998-01-28 EP disclosed
WO-1996032124-A1 MODIFIED LYSINE OR ARGININE CONTAINING PROTEINS AND PEPTIDES NEW YORK BLOOD CENTER (US) 1996-10-17 WO disclosed
WO-1990013566-A1 SYNTHETIC POLYPEPTIDE WITH LAMININ ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-11-15 WO disclosed