SCHEMBL22153133

SCHEMBL22153133

O=C(O)[C@H](CCCCN1C(=O)C=C(Br)C1=O)N1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.38
PTGS1 P23219 5/20 0.37
PTGS2 P35354 5/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
MGLL Q99685 4/20 0.35
FAAH O00519 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22153165 0.91 RGS4 (0.39) RGS4PTGS1PTGS2HDAC1HDAC7
SCHEMBL22153155 0.87 PTGS1 (0.43) RGS4PTGS1PTGS2HDAC1HDAC7
SCHEMBL8887852 0.75 ALDH1A1 (0.34) PTGS1PTGS2HDAC1HDAC7ALDH1A1
SCHEMBL15433041 0.74 PTGS1 (0.57) RGS4PTGS1PTGS2HDAC1HDAC7
SCHEMBL22153132 0.73 KDM4E (0.32) HDAC1HDAC7ALDH1A1TP53HPGD
SCHEMBL4852749 0.73 PTGS1 (0.60) RGS4PTGS1PTGS2HDAC1HDAC7
SCHEMBL4846116 0.73 PTGS1 (0.60) RGS4PTGS1PTGS2HDAC1HDAC7
SCHEMBL502079 0.72 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL6939609 0.72 GPR84 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1832989 0.72 GSR (0.44) ALDH1A1TP53HPGDMAPK1DNMT1

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-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed