SCHEMBL4603832

SCHEMBL4603832

CC(C)(C)[C@H](NC[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
GPR183 P32249 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
MCHR1 Q99705 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PAK1 Q13153 1/20 0.34
DRD4 P21917 1/20 0.33

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
SCHEMBL4602312 0.90 NPC1 (0.43) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL4603826 0.86 TSHR (0.39) TSHRALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL4902899 0.86 TSHR (0.39) TSHRALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL4602765 0.80 NPC1 (0.43) TSHRALDH1A1TP53NPSR1EPHX2
SCHEMBL4603007 0.79 NPC1 (0.41) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4884110 0.78 KMT2A (0.41) TSHRMEN1KMT2AMCHR1NPC1
SCHEMBL4884080 0.78 KMT2A (0.41) TSHRMEN1KMT2AMCHR1NPC1
SCHEMBL4602474 0.78 MMP1 (0.44) MEN1KMT2ANPSR1
SCHEMBL4603077 0.78 TSHR (0.41) TSHRMEN1KMT2AEPHX2MCHR1
SCHEMBL4883080 0.78 TSHR (0.41) TSHRMEN1KMT2AEPHX2MCHR1

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