SCHEMBL9434880

SCHEMBL9434880

CC(=O)N(O)CCCCCN(O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CA14 Q9ULX7 1/20 0.40
KDM4A O75164 2/20 0.37
HIF1A Q16665 1/20 0.37
TET2 Q6N021 1/20 0.37
DOHH Q9BU89 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL8887438 0.85 HDAC1 (0.40) HDAC6HDAC1HDAC2CA14KDM4A
SCHEMBL21937996 0.83 CA14 (0.41) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL24172307 0.81 CA12 (0.39) HDAC6HDAC1HDAC2CA14KDM4C
SCHEMBL4061706 0.81 TDP1 (0.42) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL9434997 0.81 CA14 (0.43) HDAC6HDAC1HDAC2CA14KDM4A
SCHEMBL7707701 0.79 KDM4A (0.47) KDM4AHIF1ATET2DOHHKDM4E
SCHEMBL1156357 0.79 KDM4A (0.47) KDM4AHIF1ATET2DOHHKDM4E
SCHEMBL8746938 0.79 KDM4A (0.47) KDM4AHIF1ATET2DOHHKDM4E
SCHEMBL19784441 0.77 HDAC1 (0.44) HDAC6HDAC1HDAC2GAASMN1; SMN2
SCHEMBL1222571 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14L3MBTL1

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-1994011367-A1 2-(PYRID-2'-YL)-2-THIAZOLINE-4(S)-CARBOXYLIC ACID DERIVATIVES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 1994-05-26 WO disclosed