SCHEMBL10865713

SCHEMBL10865713

CC(=O)NCCc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 2/20 0.60
F13A1 P00488 1/20 0.60
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 3/20 0.54
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL11481699 0.91 L3MBTL1 (0.55) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL11472615 0.91 L3MBTL1 (0.55) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL10453028 0.87 KDM4E (0.60) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL11471927 0.86 KDM4E (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9661496 0.84 SMN1; SMN2 (0.60) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL11131232 0.84 ADRA1A (0.57) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL11135739 0.84 ADRA1A (0.57) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL10451965 0.83 KDM4E (0.64) L3MBTL1KDM4EF13A1HDAC3HDAC4
SCHEMBL4867311 0.83 ALDH1A1 (0.73) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL3523937 0.83 KDM4E (0.68) KDM4EF13A1HDAC3HDAC4HDAC1

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
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed