SCHEMBL3893852

SCHEMBL3893852

C=C(CC(C)(C)C)C(=O)O.C=C(CCCCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL17183933 1.00 THRB (0.46) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL2852114 0.98 TET2 (0.46) THRBFNTAFNTBPGGT1BGPR84
Methacrylic Acid SCHEMBL6434857 0.95 FNTA (0.46) THRBFNTAFNTBPGGT1BGPR84
Methacrylic Acid SCHEMBL5068568 0.93 FNTA (0.43) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL148286 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL1119569 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL27157 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL3947983 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL10794679 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84
SCHEMBL149654 0.87 GPR84 (0.58) THRBFNTAFNTBPGGT1BGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed