SCHEMBL821135

SCHEMBL821135

Cc1cc(-c2ccc(N)cc2)c(CC2CO2)c(CC2CO2)c1N

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.36
DHFR P00374 1/20 0.32

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
Methylamine SCHEMBL29171068 0.78 ALDH1A1 (0.32) MAOA
SCHEMBL9857428 0.76 ALDH1A1 (0.33)
Methane SCHEMBL821136 0.76 ALDH1A1 (0.30)
Methane SCHEMBL2463091 0.75 ALDH1A1 (0.32)
SCHEMBL2463090 0.73 ALDH1A1 (0.35)
SCHEMBL16752091 0.73
Methane SCHEMBL20448910 0.71 ALDH1A1 (0.33)
Methane SCHEMBL28015956 0.71 ALDH1A1 (0.33) MAOAMAOB
SCHEMBL16752066 0.70
SCHEMBL23277041 0.69 CYP3A4 (0.42)

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
EP-2385969-A1 METALLIC COMPOUNDS IN NON-BROMINATED FLAME RETARDANT EPOXY RESINS Dow Global Technologies LLC (US) 2011-11-16 EP disclosed
US-8040958-B2 Method for measuring correlation between frequency response functions HONDA MOTOR CO., LTD (JP) 2011-10-18 US disclosed