SCHEMBL13206290

SCHEMBL13206290

O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCN(P)CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.56
BACE1 P56817 3/20 0.48
ACLY P53396 2/20 0.45
SUCNR1 Q9BXA5 1/20 0.43
FAAH O00519 2/20 0.43
HDAC3 O15379 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
SCHEMBL2569866 0.90 HDAC1 (0.69) HDAC1BACE1ACLYSUCNR1
SCHEMBL12117920 0.90 HDAC1 (0.55) HDAC1BACE1ACLYHDAC3
Hydrochloric Acid SCHEMBL1315802 0.89 HDAC1 (0.54) HDAC1BACE1ACLYHDAC3
SCHEMBL12117913 0.89 HDAC1 (0.59) HDAC1BACE1ACLYSUCNR1
SCHEMBL12117923 0.88 HDAC1 (0.69) HDAC1BACE1ACLYHDAC3
SCHEMBL1315936 0.87 HDAC1 (0.55) HDAC1BACE1ACLYSUCNR1
SCHEMBL1316066 0.87 HDAC1 (0.65) HDAC1BACE1ACLYSUCNR1
SCHEMBL12117908 0.87 HDAC1 (0.57) HDAC1BACE1ACLYHDAC3
SCHEMBL2571414 0.85 HDAC1 (0.55) HDAC1BACE1ACLYSUCNR1
SCHEMBL12117911 0.85 HDAC1 (0.58) HDAC1BACE1ACLY

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-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed