SCHEMBL6673364

SCHEMBL6673364

NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.41
TGFBR1 P36897 1/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL30781161 1.00 MME (0.41) MMETGFBR1CA2CA1AKR1B1
SCHEMBL29549787 1.00 MME (0.41) MMETGFBR1CA2CA1AKR1B1
SCHEMBL30781165 1.00 MME (0.41) MMETGFBR1CA2CA1AKR1B1
SCHEMBL38661411 0.96 MME (0.39) MMETGFBR1CA2CA1AKR1B1
SCHEMBL30253800 0.96 MME (0.39) MMETGFBR1CA2CA1AKR1B1
SCHEMBL29560167 0.94 MME (0.36) MME
SCHEMBL29461516 0.93 MME (0.44) MMEAKR1B1
SCHEMBL30781148 0.93 MME (0.37) MME
SCHEMBL29598237 0.93 MME (0.40) MMETGFBR1CA2CA1
SCHEMBL23598223 0.92 MME (0.35) MME

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
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed