SCHEMBL11118046

SCHEMBL11118046

CC(O)(NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC1 Q13547 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.49
GAA P10253 2/20 0.49
KEAP1 Q14145 1/20 0.48
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC3 O15379 1/20 0.48
P2RX7 Q99572 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL12376675 0.84 HDAC2 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL15143002 0.81 HDAC2 (0.53) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL11114265 0.80 HDAC2 (0.51) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL11119117 0.79 HDAC2 (0.54) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL21758222 0.78 HDAC2 (0.58) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL4778260 0.77 HDAC2 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL28250846 0.77 HDAC2 (0.56) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL16290162 0.76 GAA (0.50) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrochloric Acid SCHEMBL6557840 0.76 HDAC2 (0.59) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL5654470 0.75 HDAC2 (0.50) HDAC2HDAC8HDAC6HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035743-B1 PROCESS FOR THE PREPARATION OF DIPEPTIDES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1984-11-07 EP disclosed
US-4352752-A Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-10-05 US disclosed
EP-0035743-A1 Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-09-16 EP disclosed