SCHEMBL22015901

SCHEMBL22015901

C=CCN(C/C=C/CN(CC=C)C(=O)c1ccc(N(C)C/C=C(\C)C(=O)OCCNC(=O)c2ccc(N(C)C)cc2)cc1)C(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.34
HDAC10 Q969S8 8/20 0.34
HDAC6 Q9UBN7 8/20 0.34
HDAC8 Q9BY41 8/20 0.34
HDAC2 Q92769 7/20 0.34
HDAC3 O15379 6/20 0.34
HDAC4 P56524 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.33
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL22019518 1.00 HDAC1 (0.34) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL22019519 0.78 KMT2A (0.47) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL22015907 0.72 KMT2A (0.53) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL24178814 0.69 HDAC1 (0.52) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL278833 0.69 HDAC1 (0.52) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL22015903 0.69 KMT2A (0.57) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL22015902 0.64 HDAC1 (0.44) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL17027760 0.63 HPGD (0.66) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL22015906 0.61 HDAC1 (0.71) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL328060 0.61 RAB9A (0.57) HDAC1HDAC10HDAC6HDAC8HDAC2

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-2020099518-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY DETREY GMBH (DE) 2020-05-22 WO disclosed