SCHEMBL2561817

SCHEMBL2561817

CC(NCc1ccccc1)C(=O)O.CCC(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.50
▸ MME P08473 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ MEP1B Q16820 2/20 0.48
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC2 Q92769 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL497817 0.87 SIGMAR1 (0.55) LTA4HMEP1BMEN1KMT2ASIGMAR1
SCHEMBL3556483 0.87 SIGMAR1 (0.55) LTA4HMEP1BMEN1KMT2ASIGMAR1
SCHEMBL497818 0.87 SIGMAR1 (0.55) LTA4HMEP1BMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL1026469 0.85 SIGMAR1 (0.53) MEP1BMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7827035 0.85 SIGMAR1 (0.53) MEP1BMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL29221566 0.85 SIGMAR1 (0.53) MEP1BMEN1KMT2ASIGMAR1
SCHEMBL8220982 0.79 SIGMAR1 (0.50) MEP1BMEN1KMT2ASIGMAR1
SCHEMBL28499340 0.78 ACP3 (0.51) MEP1BMEN1KMT2ASIGMAR1
SCHEMBL1997227 0.78 ALDH1A1 (0.56) MMEMEN1KMT2ASIGMAR1
SCHEMBL17441374 0.78 ALDH1A1 (0.56) MMEMEN1KMT2ASIGMAR1

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-2011130615-A2 PREPARATION OF LACOSAMIDE DR. REDDY'S LABORATORIES LTD. (IN) 2011-10-20 — — WO disclosed
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