SCHEMBL1270008

SCHEMBL1270008

O=C1OC(=O)C2C3C=CC(C3)C12.O=C1OC(=O)c2c3ccccc3cc3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.48
▸ TYMS P04818 7/20 0.40
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALOX5 P09917 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 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
SCHEMBL580216 0.84 CES1 (0.65) CES1TYMSMAOAMAOBALOX5
SCHEMBL8545939 0.70 TYMS (0.47) CES1TYMSMAOAAHR
SCHEMBL3130301 0.68 ALDH1A1 (0.48) —
SCHEMBL196877 0.68 ALDH1A1 (0.48) —
SCHEMBL12549702 0.68 ALDH1A1 (0.48) —
SCHEMBL9579531 0.68 ALDH1A1 (0.48) —
SCHEMBL12268145 0.68 ALDH1A1 (0.48) —
SCHEMBL16704819 0.68 ALDH1A1 (0.48) —
SCHEMBL13397502 0.68 ALDH1A1 (0.48) —
SCHEMBL13197282 0.68 ALDH1A1 (0.48) —

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
WO-2011016094-A1 HEAT RESISTANT RESIN, COMPOSITION THEREOF, RESIN/METAL LAMINATE AND CIRCUIT BOARD MITSUI CHEMICALS, INC. (JP) 2011-02-10 — — WO disclosed
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