SCHEMBL9243165

SCHEMBL9243165

C=CC=CC.C=Cc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CHAT P28329 4/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
RXRA P19793 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37

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
Butadiene SCHEMBL9296764 0.85 SIRT2 (0.47) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL31610342 0.84 SIRT2 (0.50) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL6863260 0.84 SIRT2 (0.50) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL29357296 0.84 SIRT2 (0.50) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL14912 0.84 SIRT2 (0.50) SIRT2SIRT1CHATMTNR1AMTNR1B
Methyl Alcohol SCHEMBL1324478 0.83 MTNR1A (0.47) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL18139227 0.82 SIRT2 (0.49) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL30925393 0.82 SIRT2 (0.49) SIRT2SIRT1CHATMTNR1AMTNR1B
Ammonia Solution, Strong SCHEMBL1824430 0.82 SIRT2 (0.49) SIRT2SIRT1CHATMTNR1AMTNR1B
SCHEMBL18141098 0.82 SIRT2 (0.49) SIRT2SIRT1CHATMTNR1AMTNR1B

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-5387645-A Synergistic blend of polyamide, functionalized polyolefin and functionalized styrene blocks and rubber blocks of ethylene, propylene, butylene and pentylene; maleic anhydride-modified AMOCO CORPORATION (US) 1995-02-07 US disclosed