SCHEMBL9067124

SCHEMBL9067124

C=C(CC(C)C)C(=O)O.C=C(CCC(C)C)C(=O)O.C=C(CCC)C(=O)O.C=C(CCCC)C(=O)O.C=C(CCCCC)C(=O)O.C=C(CCCCCC)C(=O)O.C=C(CCCCCCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 2/20 0.37
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL15770418 0.94 THRB (0.39) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL4633634 0.89 THRB (0.46) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL8415666 0.89 THRB (0.46) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL17107452 0.89 THRB (0.46) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL5864610 0.88 AKR1B1 (0.43) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL1534223 0.88 AKR1B1 (0.43) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL7709734 0.86 TET2 (0.41) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL9501863 0.86 CA1 (0.39) THRBFNTAFNTBPGGT1BFFAR4
Methacrylic Acid SCHEMBL7805276 0.85 FNTA (0.46) THRBFNTAFNTBPGGT1BFFAR4
SCHEMBL17360781 0.85 TET2 (0.35) THRBFNTAFNTBPGGT1BFFAR1

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-0689568-A1 BINDER SYSTEMS FOR USE IN ELECTRO-DIP COATING BASF Lacke + Farben Aktiengesellschaft (DE) 1996-01-03 EP disclosed
WO-1994021736-A1 BINDER SYSTEMS FOR USE IN ELECTRO-DIP COATING BASF LACKE + FARBEN AG (DE) 1994-09-29 WO disclosed