SCHEMBL22153155

SCHEMBL22153155

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.43
PTGS2 P35354 7/20 0.43
MGLL Q99685 5/20 0.42
FAAH O00519 4/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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) PTGS1PTGS2ALDH1A1TP53HPGD
SCHEMBL22153133 0.87 RGS4 (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22153132 0.81 KDM4E (0.32) ALDH1A1TP53HPGDMAPK1HDAC1
SCHEMBL29333225 0.79 KDM4E (0.30) ALDH1A1TP53HPGDMAPK1KDM4E
SCHEMBL502079 0.78 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL4738905 0.77 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL8887852 0.75 ALDH1A1 (0.34) PTGS1PTGS2ALDH1A1TP53HPGD
SCHEMBL22152325 0.75 RGS4 (0.44) ALDH1A1TP53HPGDMAPK1KDM4E
SCHEMBL28532565 0.74 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL28643043 0.72 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1

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