SCHEMBL4603069

SCHEMBL4603069

CC(C)(C)[C@H](NC(=O)CCC(=O)NO)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SIGMAR1 Q99720 9/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MMP2 P08253 4/20 0.47
MMP3 P08254 2/20 0.47
ME3 Q16798 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL4884035 0.83 MMP2 (0.56) MMP2MMP3
SCHEMBL4876342 0.82 MMP2 (0.63) MMP2MMP3
SCHEMBL4880579 0.82 MMP2 (0.59) MMP2MMP3
Hydrochloric Acid SCHEMBL4602140 0.78 MEN1 (0.59) MEN1KMT2ASIGMAR1ME3EPHX2
Hydrochloric Acid SCHEMBL4887089 0.78 MEN1 (0.59) MEN1KMT2ASIGMAR1ME3EPHX2
SCHEMBL14066495 0.76 MMP2 (0.45) MEN1KMT2AMMP2MMP3
SCHEMBL4887307 0.76 MMP1 (0.45) MEN1KMT2ASIGMAR1MMP2MMP3
SCHEMBL4877176 0.72 MMP2 (0.53) MEN1KMT2AMMP2MMP3
SCHEMBL4885918 0.72 MMP2 (0.59) MMP2MMP3
SCHEMBL4614374 0.71 MMP2 (0.56) MMP2MMP3

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-1915342-A1 A NOVEL HYDROXAMIC ACID DERIVATIVE AS PEPTIDE DEFORMYLASE INHIBITOR AND MANUFACTURING METHOD THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2008-04-30 EP disclosed
WO-2006115353-A1 A NOVEL HYDROXAMIC ACID DERIVATIVE AS PEPTIDE DEFORMYLASE INHIBITOR AND MANUFACTURING METHOD THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2006-11-02 WO disclosed