SCHEMBL3972649

SCHEMBL3972649

CS(=O)(=O)SCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 6/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 6/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL10495218 0.98 TSHR (0.50) LMNATSHRNFKB1PMP22GPR84
SCHEMBL4861479 0.98 TSHR (0.50) LMNATSHRNFKB1PMP22GPR84
SCHEMBL10495189 0.93 TSHR (0.50) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL2426552 0.84 TSHR (0.50) LMNATSHRHDAC11TDP1SLC22A6
SCHEMBL14209578 0.83 EPHX2 (0.51) LMNATSHR
SCHEMBL10775064 0.81 AKR1B1 (0.48) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL17326863 0.78 TSHR (0.52) LMNATSHRNFKB1PMP22GPR84
SCHEMBL11029344 0.78 TRPA1 (0.57) HDAC11TRPA1
SCHEMBL11604930 0.78 TRPA1 (0.57) HDAC11TRPA1
SCHEMBL3996194 0.76 HDAC3 (0.56) HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572604-B2 Modified carbohydrate processing enzyme ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
EP-1141335-B1 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INT (US) 2009-08-05 EP disclosed
US-20090181444-A1 MODIFIED CARBOHYDRATE PROCESSING ENZYME ISIS INNOVATION LIMITED (GB) 2009-07-16 US disclosed
WO-2009065926-A2 NEW ANTICANCER COMPOUNDS SULFIDRIS S.R.L. (IT) 2009-05-28 WO disclosed
US-7371553-B2 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. (US) 2008-05-13 US disclosed
WO-2006055437-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
WO-2006055644-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
US-20050089966-A1 Chemically modified enzymes with multiple charged variants DAVID BENJAMIN G (GB) 2005-04-28 US disclosed
US-20020127695-A1 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. 2002-09-12 US disclosed
US-6379942-B1 SUBTILISIN ENZYME, WITH CYSTEINE RESIDUES AT GIVE AMINO ACID SEQUENCE POSITIONS, WHERE THE THIOL HYDROGEN IN THE CYSTEINE RESIDUE IS REPLACED, PROVIDING A SIDE CHAIN IWTH A MULTIPLY CHARGED MOIETY; DETERGENTS GENENCOR INTERNATIONAL, INC. 2002-04-30 US disclosed
EP-1141335-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000037658-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2000-06-29 WO disclosed
US-4879249-A IMMUNOASSAY BALDWIN THOMAS O (US) 1989-11-07 US disclosed
US-4614712-A Immunoassays with luciferase labeled ligands or receptors THE UPJOHN COMPANY (US) 1986-09-30 US disclosed
EP-0117693-A2 Enzyme-linked immunoassay, assay kits and pair-binding compounds THE UPJOHN COMPANY (US) 1984-09-05 EP disclosed