SCHEMBL27640874

SCHEMBL27640874

CC1CC(O)CCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.42
▸ MAOA P21397 7/20 0.42
▸ KDM1A O60341 5/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ CYP2B6 P20813 3/20 0.42
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL28161049 0.81 CNR1 (0.38) MAOBKDM1ACYP2C19CYP2C9CYP3A4
SCHEMBL5682467 0.80 MAOB (0.45) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL187439 0.79 MAOB (0.56) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL21111934 0.79 MAOB (0.56) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL7216730 0.79 MAOB (0.56) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL20195820 0.79 MAOB (0.56) MAOBMAOAKDM1ACYP2C19CYP2B6
Ammonia Solution, Strong SCHEMBL266310 0.77 MAOB (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL2292650 0.74 TRPA1 (0.32) —
Ethane SCHEMBL28745541 0.73 APP (0.44) MAOAKDM1ASLC6A2SLC6A3CYP3A4
SCHEMBL10707788 0.73 MEN1 (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6

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
CN-1886196-B Functionalized zeolite compositions and methods for their preparation and use GEN ELECTRIC 2010-09-15 — — CN disclosed
CN-1886196-A Functionalized zeolite compositions and methods for their preparation and use GEN ELECTRIC (US) 2006-12-27 — — CN disclosed
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