SCHEMBL11615209

SCHEMBL11615209

ClC(Cl)CCCCCCOc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.60
▸ MAOA P21397 7/20 0.56
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KCNH2 Q12809 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL11802724 0.87 MAOB (0.72) MAOBMAOATSHRMAPTMEN1
SCHEMBL108114 0.82 MAOB (0.74) MAOBMAOATSHRMAPTMEN1
SCHEMBL7236239 0.81 MAOB (0.71) MAOBMAOATSHRMAPTMEN1
SCHEMBL107322 0.81 MAOB (0.83) MAOBMAOATSHRMAPTMEN1
SCHEMBL11798933 0.80 MAOB (0.65) MAOBMAOATSHRMAPTMEN1
SCHEMBL11796757 0.80 MAOB (0.62) MAOBMAOATSHRMAPTMEN1
SCHEMBL8543542 0.80 MAOB (0.62) MAOBMAOATSHRMAPTMEN1
SCHEMBL14382267 0.80 MAOB (0.62) MAOBMAOATSHRMAPTMEN1
SCHEMBL11039281 0.80 MAOB (0.62) MAOBMAOATSHRMAPTMEN1
SCHEMBL11798944 0.80 MAOB (0.65) MAOBMAOATSHRMAPTMEN1

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-4126623-A BENZYL OR PHENYL ETHERS AND THIOETHERS WITH A LINEAR ALIPHATIC CHAIN HAVING A HALOGENATED END GROUP AND EXHIBITING JUVENILE HORMONE AND ACARICIDE ACTIVITY MONTEDISON S.P.A. (IT) 1978-11-21 — — US disclosed
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