SCHEMBL28046935

SCHEMBL28046935

C=CC(=O)OCCCCCC(C)C.CC(C)(C)c1cc(CC(S)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HMGCR P04035 2/20 0.37
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
KCNH2 Q12809 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
SCHEMBL581260 0.85 HMGCR (0.44) GAATSHRALDH1A1CYP3A4HMGCR
SCHEMBL27881180 0.84 GAA (0.44) GAATSHRALDH1A1CYP3A4HMGCR
SCHEMBL27891554 0.83 TSHR (0.40) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL27984698 0.82 GAA (0.43) GAATSHRALDH1A1CYP3A4HMGCR
SCHEMBL27640007 0.80 GABBR2 (0.44) GAATSHRALDH1A1CYP3A4ESR1
SCHEMBL29043769 0.80 TSHR (0.45) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL9474261 0.80 HMGCR (0.40) GAATSHRALDH1A1CYP3A4HMGCR
Acetic Acid SCHEMBL28120830 0.79 GAA (0.34) GAATSHRALDH1A1CYP3A4HPGD
SCHEMBL9431129 0.78 HMGCR (0.45) GAATSHRALDH1A1CYP3A4HMGCR
SCHEMBL2953886 0.77 GAA (0.49) GAATSHRALDH1A1CYP3A4HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536620-A Method for manufacturing articles using foam particles NIKE INNOVATE CV 2019-12-03 CN disclosed
CN-110352223-A Coating composition with covalently bound UV absorber 巴斯夫欧洲公司 2019-10-18 CN disclosed
CN-110167381-A Textile and article and process for manufacturing textile and article 耐克创新有限合伙公司 2019-08-23 CN disclosed
CN-110167378-A Textile and article and process for manufacturing textile and article 耐克创新有限合伙公司 2019-08-23 CN disclosed
CN-105308130-B Coated carbon fiber reinforced plastic part 巴斯夫欧洲公司 2017-09-29 CN disclosed
CN-105308130-A Coated carbon fiber reinforced plastic part BASF SE 2016-02-03 CN disclosed
CN-100384914-C Method for homogeneously dispersing substances in a substrate CLARIANT GMBH (DE) 2008-04-30 CN disclosed
CN-1668678-A Method for homogeneously dispersing substances in a substrate CLARIANT GMBH (DE) 2005-09-14 CN disclosed