SCHEMBL547240

SCHEMBL547240

CCCCCCCCCCCC(=O)C=Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.66
ALDH1A1 P00352 1/20 0.62
EGFR P00533 1/20 0.61
TUBB4A P04350 2/20 0.61
TUBB P07437 2/20 0.61
TUBA3C P0DPH7 2/20 0.61
TUBA1B P68363 2/20 0.61
TUBA4A P68366 2/20 0.61
TUBB4B P68371 2/20 0.61
TUBB3 Q13509 2/20 0.61
TUBB2A Q13885 2/20 0.61
TUBB8 Q3ZCM7 2/20 0.61
TUBA3E Q6PEY2 2/20 0.61
TUBA1A Q71U36 2/20 0.61
TUBA1C Q9BQE3 2/20 0.61
TUBB6 Q9BUF5 2/20 0.61
TUBB2B Q9BVA1 2/20 0.61
TUBB1 Q9H4B7 2/20 0.61
IAPP P10997 2/20 0.56
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL10954039 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL17746768 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL157815 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL3398186 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL9019324 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL3398185 1.00 APP (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL160048 0.98 ALDH1A1 (0.64) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL861926 0.98 ALDH1A1 (0.64) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL3395879 0.93 ALDH1A1 (0.66) APPALDH1A1EGFRTUBB4ATUBB
SCHEMBL3395878 0.93 ALDH1A1 (0.66) APPALDH1A1EGFRTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120103787-A1 Photochemical Method For Producing Hydrocarbons NECKERS DOUGLAS C (US) 2012-05-03 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed