SCHEMBL3379978

SCHEMBL3379978

NC(=O)C[C@@H](C(=O)O)N(Cl)Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3379982 1.00 ALOX15 (0.31) ALOX15BLMPMP22KMT2A
SCHEMBL3381888 0.82 TDP1 (0.40) KMT2A
SCHEMBL3381891 0.82 TDP1 (0.40) KMT2A
SCHEMBL3382104 0.82 ALOX15 (0.33) ALOX15BLMPMP22KMT2A
SCHEMBL3382292 0.82 ALOX15 (0.33) ALOX15BLMPMP22KMT2A
SCHEMBL3382289 0.82 ALOX15 (0.33) ALOX15BLMPMP22KMT2A
SCHEMBL3382100 0.82 ALOX15 (0.33) ALOX15BLMPMP22KMT2A
SCHEMBL3382371 0.79 KMT2A (0.47) ALOX15BLMPMP22KMT2A
SCHEMBL3382374 0.79 KMT2A (0.47) ALOX15BLMPMP22KMT2A
SCHEMBL30873805 0.75 GRIK1 (0.34)

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-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed