SCHEMBL3579858

SCHEMBL3579858

C=C(CC(=O)O)C(=O)OC(=O)CCCC(=O)O.O=C(O)CCO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CAMK2A Q9UQM7 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL27546396 0.81 TSHR (0.44) TSHRSLC22A6GPR84FFAR1FFAR4
SCHEMBL9068802 0.79 TSHR (0.43) TSHRSLC22A6GPR84FFAR1FFAR4
Itaconate SCHEMBL3579855 0.78 ALOX15 (0.52) TSHRCAMK2ASLC22A6GPR84FFAR1
SCHEMBL2484913 0.77 EGLN1 (0.36) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL11856882 0.76 ALOX15 (0.39) ALOX15HSD17B10
SCHEMBL28058052 0.75 TSHR (0.58) TSHRCAMK2ASLC22A6GPR84FFAR1
SCHEMBL4416067 0.74 ALOX15 (0.40) ALOX15HSD17B10
SCHEMBL25232 0.73 ALOX15 (0.46) ALOX15HSD17B10
Ethylene Glycol SCHEMBL10967874 0.72 ALOX15 (0.39) ALOX15HSD17B10
SCHEMBL8677300 0.72 ALOX15 (0.39) TSHRALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235173-A2 POLYPEPTIDES HAVING CELLULOLYTIC ENHANCING ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2010-10-06 EP disclosed
WO-2009085935-A2 POLYPEPTIDES HAVING CELLULOLYTIC ENHANCING ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2009-07-09 WO disclosed