SCHEMBL8099440

SCHEMBL8099440

O=C(CCC(=O)NCCCCOCc1ccccc1)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.57
HDAC1 Q13547 9/20 0.57
HDAC2 Q92769 9/20 0.57
HDAC8 Q9BY41 9/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC10 Q969S8 6/20 0.57
HDAC11 Q96DB2 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
NCOR2 Q9Y618 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
HDAC5 Q9UQL6 5/20 0.53
HDAC7 Q8WUI4 4/20 0.53
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX2 P34913 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL16620624 0.90 TAAR1 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7016639 0.82 HDAC2 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29025356 0.81 EPHX2 (0.57) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL7758247 0.81 SMN1; SMN2 (0.50) L3MBTL1MMP3MMP9MMP8LMNA
SCHEMBL15894527 0.81 LMNA (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17117375 0.80 TAAR1 (0.72) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25375626 0.80 LMNA (0.55) L3MBTL1LMNAKDM4EEPHX2TSHR
SCHEMBL7694478 0.80 L3MBTL1 (0.58) L3MBTL1MMP3MMP9MMP8LMNA
SCHEMBL7682044 0.80 LMNA (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3356126 0.79 SMN1; SMN2 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6

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-0821666-B1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-12-27 EP claimed