SCHEMBL6667437

SCHEMBL6667437

CCCCN=NC(C#N)CCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL129689 0.82 GSTK1 (0.44) FFAR4FFAR1GPR84HDAC11TSHR
SCHEMBL1163590 0.73 AKR1B1 (0.36) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL8824557 0.72 GSTK1 (0.41) FFAR4FFAR1HDAC11TSHRSLC22A6
SCHEMBL887793 0.70 TET2 (0.39) TSHRHSD17B10
SCHEMBL887792 0.70 TET2 (0.39) TSHRHSD17B10
SCHEMBL9619297 0.70 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL11065908 0.70 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL5955549 0.68 TSHR (0.40) FFAR1GPR84TSHR
Valeric Acid SCHEMBL27484965 0.68 AKR1B1 (0.67) AKR1B1FFAR4FFAR1GPR84PPARG
SCHEMBL6670794 0.68 AKR1B1 (0.43) AKR1B1FFAR4FFAR1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448242-A1 CROSSLINKED POLYAMINE COATING ON SUPERABSORBENT HYDROGELS BASF AKTIENGESELLSCHAFT (DE) 2004-08-25 EP disclosed
WO-2003053487-A1 ABSORBENT ARTICLE BASF AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
WO-2003043670-A1 CROSSLINKED POLYAMINE COATING ON SUPERABSORBENT HYDROGELS BASF AKTIENGESELLSCHAFT (DE) 2003-05-30 WO disclosed