SCHEMBL8313475

SCHEMBL8313475

CC(=O)NC(c1ccc(N(C)C)cc1)c1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RECQL P46063 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL8320373 0.89 HDAC1 (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8314608 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8317458 0.88 PKM (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8322075 0.86 RXRA (0.46) ALDH1A1MAPTKMT2AMEN1HDAC3
SCHEMBL8317483 0.85 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8314172 0.85 LMNA (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8317750 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8317387 0.79 ALOX5 (0.50) ALDH1A1MAPTKMT2AHDAC1NPSR1
SCHEMBL8317433 0.77 HDAC3 (0.58) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8053440 0.74 NPSR1 (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed