SCHEMBL7057029

SCHEMBL7057029

C=CC(C)=O.C=Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ ACHE P22303 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
Acrylic Acid SCHEMBL5833408 0.87 KDM4E (0.53) MTNR1AMTNR1BKDM4EACHEALDH1A1
Methyl Alcohol SCHEMBL1324478 0.87 MTNR1A (0.47) MTNR1AMTNR1BKDM4EACHEALDH1A1
Methacrylic Acid SCHEMBL1923827 0.86 KDM4E (0.56) MTNR1AMTNR1BKDM4EACHEALDH1A1
Methacrylic Acid SCHEMBL15345325 0.86 KDM4E (0.56) MTNR1AMTNR1BKDM4EACHEALDH1A1
SCHEMBL14912 0.84 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1HDAC8
SCHEMBL6863260 0.84 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1HDAC8
SCHEMBL31610342 0.84 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1HDAC8
SCHEMBL29357296 0.84 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1HDAC8
Acrylic Acid Methyl Ester SCHEMBL28106400 0.83 MTNR1A (0.48) MTNR1AMTNR1BKDM4EACHEALDH1A1
Formic Acid SCHEMBL27531777 0.83 SIRT2 (0.47) MTNR1AMTNR1BKDM4EACHEALDH1A1

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
EP-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 — — EP claimed
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