SCHEMBL16542359

SCHEMBL16542359

C=C(O)COCCc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.47
▸ IDO1 P14902 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ CTBP2 P56545 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 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
SCHEMBL16542322 0.86 TAAR1 (0.46) TAAR1IDO1HRH3FFAR4ALOX5
SCHEMBL4393843 0.84 FFAR4 (0.49) TAAR1IDO1FFAR4ALOX5DAO
SCHEMBL16542330 0.81 TDP1 (0.43) IDO1FFAR4HCAR2
SCHEMBL16542341 0.80 KCNH2 (0.46) TAAR1FFAR4MEN1KMT2A
SCHEMBL1624781 0.78 ALOX5 (0.46) TAAR1FFAR4ALOX5DAOMEN1
SCHEMBL1107169 0.78 TAAR1 (0.55) TAAR1IDO1HRH3FFAR4DAO
SCHEMBL10204846 0.78 TAAR1 (0.55) TAAR1IDO1HRH3ALOX5HCAR2
SCHEMBL3587968 0.76 FFAR4 (0.54) TAAR1FFAR4ALOX5CTBP2CHRM5
SCHEMBL10204847 0.76 TAAR1 (0.53) TAAR1IDO1HRH3ALOX5HCAR2
SCHEMBL23267595 0.75 TAAR1 (0.52) TAAR1IDO1HRH3ALOX5HCAR2

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-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 — — EP disclosed
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