SCHEMBL4290358

SCHEMBL4290358

C=CCNC(=O)C=C.C=CCNCCCC(=C)C(=O)O.C=CCOC(=O)C(=C)C.C=CCOC(=O)C(=C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 4/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2327142 0.83 THRB (0.35) ALDH1A1KDM4EZDHHC20ZDHHC2TSHR
SCHEMBL5092278 0.77 ALDH1A1 (0.33) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL1489810 0.76 KDM4E (0.40) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL4945281 0.75 TSHR (0.41) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL4282275 0.72 THRB (0.30)
SCHEMBL4452709 0.72 TSHR (0.41) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL8856051 0.72 KDM4E (0.43) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL16340122 0.70 KDM4E (0.42) ALDH1A1GAAKDM4ELMNAKMT2A
Methacrylic Acid SCHEMBL655219 0.70 TSHR (0.45) ALDH1A1GAAKDM4ELMNAKMT2A
Methacrylic Acid SCHEMBL250051 0.70 TSHR (0.45) ALDH1A1GAAKDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8920576-B2 Methods of removing stains and machine dishwashing methods HENKEL AG & CO. KGAA (DE) 2014-12-30 US disclosed
US-20130146101-A1 DETERGENTS HENKEL AG & CO. KGAA (DE) 2013-06-13 US disclosed
US-20090239778-A1 Cleaning Agent HENKEL KGAA (DE) 2009-09-24 US disclosed
US-20090165821-A1 Detergents HENKEL KGAA (DE) 2009-07-02 US disclosed