SCHEMBL6916133

SCHEMBL6916133

C=C(CCCC)C(=O)OC(=O)C(=C)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 5/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.41
TSHR P16473 5/20 0.41
AKR1B1 P15121 1/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
GPR84 Q9NQS5 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
FABP4 P15090 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6057358 0.96 CES1 (0.42) CES1CES2ALDH1A1TP53CA1
SCHEMBL3862259 0.96 CES1 (0.42) CES1CES2ALDH1A1TP53CA1
SCHEMBL9534599 0.93 CES2 (0.48) CES1CES2ALDH1A1TSHRAKR1B1
SCHEMBL2483865 0.92 TSHR (0.48) CES1CES2ALDH1A1TP53CA1
SCHEMBL5510815 0.91 CES2 (0.50) CES1CES2ALDH1A1TSHRPPARG
SCHEMBL28817979 0.91 CES2 (0.50) CES1CES2ALDH1A1TSHRPPARG
SCHEMBL27504162 0.91 CES2 (0.50) CES1CES2ALDH1A1TSHRPPARG
SCHEMBL26121447 0.89 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL9743325 0.89 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL6067683 0.88 CES1 (0.37) CES1CES2ALDH1A1TP53CA1

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
US-6790932-B2 TO BE USED IN THE LUBRICATED EXTRUSION WHEREIN ALSO LOW EXTRUSION PRESSURES CAN BE USED. AUSIMONT S.P.A. (IT) 2004-09-14 US claimed
US-5156589-A Woven fabric coated with crosslinked polybutyl acrylate adhesive containing alkylphenyl polyethylene glycol and stabilizer KARL OTTO BRAUN KG (DE) 1992-10-20 US disclosed
US-4944958-A COATED WOVEN FABRIC KARL OTTO BRAUN KG (DE) 1990-07-31 US disclosed