SCHEMBL5983979

SCHEMBL5983979

O=C(O)CC(CC(=O)O)(OOB(O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACLY P53396 2/20 0.30

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
SCHEMBL21647263 0.81 ALDH1A1 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL7516558 0.79 ALDH1A1 (0.43) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL28390182 0.79 ALDH1A1 (0.43) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL1414703 0.79 ALDH1A1 (0.43) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL5967516 0.77 ALDH1A1 (0.39) CYP2C19HIF1ACYP2D6TSHRALDH1A1
Bicarbonate SCHEMBL18954885 0.75 CYP2C19 (0.44) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL28987886 0.73 ALDH1A1 (0.39) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL1641740 0.72 ALDH1A1 (0.42) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL1547881 0.72 CYP2C19 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL7028343 0.71 ALDH1A1 (0.33) CYP2C19HIF1ACYP2D6TSHRALDH1A1

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
EP-1678296-A1 PROTEASE WITH IMPROVED STABILITY IN DETERGENTS Novozymes A/S (DK) 2006-07-12 EP disclosed
WO-2005040372-A1 PROTEASE WITH IMPROVED STABILITY IN DETERGENTS NOVOZYMES A/S (DK) 2005-05-06 WO disclosed
EP-1032655-A1 PROTEASE VARIANTS AND COMPOSITIONS NOVO NORDISK A/S (DK) 2000-09-06 EP disclosed
EP-1002061-A1 FAMILY 6 ENDO-1,4-$g(b)-GLUCANASE VARIANTS AND CLEANING COMPOSIT IONS CONTAINING THEM NOVO NORDISK A/S (DK) 2000-05-24 EP disclosed
EP-0996785-A1 A METHOD OF TREATING POLYESTER FABRICS NOVO NORDISK A/S (DK) 2000-05-03 EP disclosed
EP-0948610-A1 SUBTILASE VARIANTS AND COMPOSITIONS NOVO NORDISK A/S (DK) 1999-10-13 EP disclosed
EP-0928329-A1 PEROXIDASE VARIANTS NOVO NORDISK A/S (DK) 1999-07-14 EP disclosed
WO-1999027082-A1 PROTEASE VARIANTS AND COMPOSITIONS NOVO NORDISK A/S (DK) 1999-06-03 WO disclosed
WO-1999001604-A1 A METHOD OF TREATING POLYESTER FABRICS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001544-A1 FAMILY 6 ENDO-1,4-β-GLUCANASE VARIANTS AND CLEANING COMPOSIT IONS CONTAINING THEM NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
EP-0851913-A1 NOVEL LIPOLYTIC ENZYMES NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1998020115-A1 SUBTILASE VARIANTS AND COMPOSITIONS NOVO NORDISK A/S (DK) 1998-05-14 WO disclosed
WO-1998010060-A1 PEROXIDASE VARIANTS NOVO NORDISK A/S (DK) 1998-03-12 WO disclosed
WO-1998008940-A1 A NOVEL ENDOGLUCANASE NOVO NORDISK A/S (DK) 1998-03-05 WO disclosed
WO-1997007202-A1 NOVEL LIPOLYTIC ENZYMES NOVO NORDISK A/S (DK) 1997-02-27 WO disclosed