SCHEMBL7095566

SCHEMBL7095566

CNC(=O)CCCCCCCCCN(C=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC3 O15379 5/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 4/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LTA4H P09960 2/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9879981 0.85 MAPT (0.49) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL6618522 0.85 MAPT (0.49) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8622951 0.84 ALOX5 (0.48) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8323870 0.81 ALDH1A1 (0.40) MEN1KMT2AEPHX2
SCHEMBL8880376 0.81 EPHX2 (0.54) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL7739753 0.80 CCR6 (0.41) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8989023 0.80 CCR6 (0.41) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL2906610 0.80 HDAC3 (0.46) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL6951407 0.80 HTT (0.44) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8989037 0.80 L3MBTL1 (0.37) HDAC2HDAC8HDAC1HDAC3HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed