SCHEMBL12532011

SCHEMBL12532011

O=N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.47
▸ SLC1A3 P43003 1/20 0.47
▸ SLC1A2 P43004 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ MME P08473 2/20 0.46
▸ ACE P12821 2/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ ACP3 P15309 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MMP9 P14780 1/20 0.42
▸ MTNR1A P48039 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
SCHEMBL13122619 1.00 CTNNB1 (0.56) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL30885150 0.83 CTNNB1 (0.52) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL30885174 0.83 CTNNB1 (0.52) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7272663 0.81 CTNNB1 (0.75) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL6677809 0.80 CTNNB1 (0.63) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL10170673 0.78 CTNNB1 (0.61) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL1826710 0.78 CTNNB1 (0.61) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL2684738 0.78 CTNNB1 (0.61) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL16017641 0.77 CTNNB1 (0.59) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL851631 0.77 PPARG (0.48) KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 — — EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 — — EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 — — EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 — — EP disclosed
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